CS-0644897
(6S,9S,12S)-Benzyl 12-benzyl-6-(2-cyclohexylethyl)-9-isobutyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate Carfilzomib impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₃₇H₅₃N₃O₆
Molecular Weight
635.83
Synonyms
None
SMILES
CC(C[C@@H](C(N[C@H](C(OCC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)NC([C@@H](NC(OC(C)(C)C)=O)CCC3CCCCC3)=O)C
Tpsa
122.83
Logp
6.242
H Acceptors
6
H Donors
3
Rotatable Bonds
15
Other Options
...
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: C₃₇H₅₃N₃O₆
Molecular Weight: 635.83
Synonyms: None
SMILES: CC(C[C@@H](C(N[C@H](C(OCC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)NC([C@@H](NC(OC(C)(C)C)=O)CCC3CCCCC3)=O)C
Tpsa: 122.83
Logp: 6.242
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₅₃N₃O₆
Molecular Weight:
635.83
Synonyms:
None
SMILES:
CC(C[C@@H](C(N[C@H](C(OCC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)NC([C@@H](NC(OC(C)(C)C)=O)CCC3CCCCC3)=O)C
Tpsa:
122.83
Logp:
6.242
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₉NO₃
Molecular Weight: 189.25
Synonyms: None
SMILES: CC(C[C@@H](C([C@](O)(CO)C)=O)N)C
Tpsa: 83.55
Logp: -0.3278
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₉NO₃
Molecular Weight:
189.25
Synonyms:
None
SMILES:
CC(C[C@@H](C([C@](O)(CO)C)=O)N)C
Tpsa:
83.55
Logp:
-0.3278
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₆H₆₅N₅O₁₄
Molecular Weight: 912.03
Synonyms: None
SMILES: O=C(CC(CC(OC(C(C)O)C(C[C@H](C(C)=O)NC([C@@H](CC1=CC=CC=C1)NC([C@@H](CC(C)C)NC([C@@H](CCC2=CC=CC=C2)NC(CN3CCOCC3)=O)=O)=O)=O)C)=O)(C(O)=O)O)O
Tpsa: 287.3
Logp: 0.7677
H Acceptors: 13
H Donors: 8
Rotatable Bonds: 27
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₆H₆₅N₅O₁₄
Molecular Weight:
912.03
Synonyms:
None
SMILES:
O=C(CC(CC(OC(C(C)O)C(C[C@H](C(C)=O)NC([C@@H](CC1=CC=CC=C1)NC([C@@H](CC(C)C)NC([C@@H](CCC2=CC=CC=C2)NC(CN3CCOCC3)=O)=O)=O)=O)C)=O)(C(O)=O)O)O
Tpsa:
287.3
Logp:
0.7677
H Acceptors:
13
H Donors:
8
Rotatable Bonds:
27
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₀H₅₇N₅O₆
Molecular Weight: 703.91
Synonyms: None
SMILES: C=C(C([C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@H](CCC2=CC=CC=C2)NC(CN3CCOCC3)=O)=O)CC(C)C)=O)=O)CC(C)C)=O)C
Tpsa: 145.94
Logp: 3.3707
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 20
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₅₇N₅O₆
Molecular Weight:
703.91
Synonyms:
None
SMILES:
C=C(C([C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@H](CCC2=CC=CC=C2)NC(CN3CCOCC3)=O)=O)CC(C)C)=O)=O)CC(C)C)=O)C
Tpsa:
145.94
Logp:
3.3707
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
20