CS-1001853
(1S,3R,7S,8S,8aR)-8-[(3R,5R)-7-(Cyclohexylamino)-3,5-dihydroxy-7-oxoheptyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl 2,2-dimethylbutanoate
Manufacturer: ChemScene
CAS Number: 163448-23-5
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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
C₃₁H₅₁NO₅
Molecular Weight
517.74
Synonyms
None
SMILES
O(C(C(CC)(C)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(NC3CCCCC3)=O)O)O)=C[C@H](C)C1)[H]
Tpsa
95.86
Logp
5.47
H Acceptors
5
H Donors
3
Rotatable Bonds
11
Related Products
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: C₃₁H₅₁NO₅
Molecular Weight: 517.74
Synonyms: None
SMILES: O(C(C(CC)(C)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(NC3CCCCC3)=O)O)O)=C[C@H](C)C1)[H]
Tpsa: 95.86
Logp: 5.47
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₅₁NO₅
Molecular Weight:
517.74
Synonyms:
None
SMILES:
O(C(C(CC)(C)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(NC3CCCCC3)=O)O)O)=C[C@H](C)C1)[H]
Tpsa:
95.86
Logp:
5.47
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆Cl₂N₂O₃
Molecular Weight: 249.05
Synonyms: None
SMILES: O=C(NC1=CC=C(C=C1)N(=O)=O)C(Cl)Cl
Tpsa: 72.24
Logp: 2.337
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆Cl₂N₂O₃
Molecular Weight:
249.05
Synonyms:
None
SMILES:
O=C(NC1=CC=C(C=C1)N(=O)=O)C(Cl)Cl
Tpsa:
72.24
Logp:
2.337
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₅N₅O₃
Molecular Weight: 455.51
Synonyms: None
SMILES: N#CC=1C=CC=2NC=C(C(=O)CCCN3CCN(C=4C=CC=5OC(=CC5C4)C(=O)N)CC3)C2C1
Tpsa: 119.36
Logp: 3.66978
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₅N₅O₃
Molecular Weight:
455.51
Synonyms:
None
SMILES:
N#CC=1C=CC=2NC=C(C(=O)CCCN3CCN(C=4C=CC=5OC(=CC5C4)C(=O)N)CC3)C2C1
Tpsa:
119.36
Logp:
3.66978
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃H₈N₂S
Molecular Weight: 104.17
Synonyms: None
SMILES: SC1CNNC1
Tpsa: 24.06
Logp: -0.6074
H Acceptors: 3
H Donors: 3
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:
C₃H₈N₂S
Molecular Weight:
104.17
Synonyms:
None
SMILES:
SC1CNNC1
Tpsa:
24.06
Logp:
-0.6074
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
0