CS-0536320
Tert-butyl 2-((4R,6R)-6-(2-(2-isopropyl-4,5-diphenyl-3-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
Manufacturer: ChemScene
CAS Number: 1105067-91-1
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₄₀H₄₈N₂O₅
Molecular Weight
636.82
Synonyms
Defluoro Atorvastatin Acetonide tert-Butyl Ester
SMILES
CC(C)C1=C(C(=C(N1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5
Tpsa
78.79
Logp
9.2299
H Acceptors
6
H Donors
1
Rotatable Bonds
10
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1105067-91-1 | (4R,6R)-2,2-DIMETHYL-6-[2-[2-(1-METHYLETHYL)-4,5-DIPHENYL-3-[(PHENYLAMINO)CARBONYL]-1H-PYRROL-1-YL]ETHYL]-1,3-DIOXANE-4-ACETIC ACID TERT-BUTYL ESTER | A2B Chem | -- |
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₀H₄₈N₂O₅
Molecular Weight: 636.82
Synonyms: Defluoro Atorvastatin Acetonide tert-Butyl Ester
SMILES: CC(C)C1=C(C(=C(N1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5
Tpsa: 78.79
Logp: 9.2299
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₄₈N₂O₅
Molecular Weight:
636.82
Synonyms:
Defluoro Atorvastatin Acetonide tert-Butyl Ester
SMILES:
CC(C)C1=C(C(=C(N1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5
Tpsa:
78.79
Logp:
9.2299
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₅NO₃
Molecular Weight: 175.14
Synonyms: None
SMILES: O=C(C1=C(C2)[C@](O3)([H])C3=C2[C@]41[H])NC4=O
Tpsa: 58.7
Logp: -0.3742
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅NO₃
Molecular Weight:
175.14
Synonyms:
None
SMILES:
O=C(C1=C(C2)[C@](O3)([H])C3=C2[C@]41[H])NC4=O
Tpsa:
58.7
Logp:
-0.3742
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₄₃NO₇
Molecular Weight: 433.58
Synonyms: 1-Oxa-6-azacyclopentadecan-15-one, 2-ethyl-3,4,10,11,13-pentahydroxy-3,5,6,8,10,12,14-heptamethyl-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)(C)O)C)C)C)O)(C)O
Tpsa: 130.69
Logp: 0.5252
H Acceptors: 8
H Donors: 5
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₄₃NO₇
Molecular Weight:
433.58
Synonyms:
1-Oxa-6-azacyclopentadecan-15-one, 2-ethyl-3,4,10,11,13-pentahydroxy-3,5,6,8,10,12,14-heptamethyl-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-
SMILES:
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)(C)O)C)C)C)O)(C)O
Tpsa:
130.69
Logp:
0.5252
H Acceptors:
8
H Donors:
5
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₆N₄O₄S₂
Molecular Weight: 508.70
Synonyms: None
SMILES: O=S(N1CCN(S(=O)(C2=CC=C(C)C=C2)=O)CCCNCCNCCC1)(C3=CC=C(C)C=C3)=O
Tpsa: 98.82
Logp: 1.95804
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₆N₄O₄S₂
Molecular Weight:
508.70
Synonyms:
None
SMILES:
O=S(N1CCN(S(=O)(C2=CC=C(C)C=C2)=O)CCCNCCNCCC1)(C3=CC=C(C)C=C3)=O
Tpsa:
98.82
Logp:
1.95804
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
4