CS-0044536
Allyl N-(N-((S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-methoxyphenyl)propanoyl)-N-methyl-L-alanyl)-N-methyl-L-isoleucinate
Manufacturer: ChemScene
CAS Number: 878626-70-1
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₉H₄₇N₃O₇
Molecular Weight
669.81
Synonyms
None
SMILES
CC[C@H](C)[C@@H](C(OCC=C)=O)N(C([C@H](C)N(C([C@H](CC1=CC=C(OC)C=C1)NC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O)=O)C)=O)C
Tpsa
114.48
Logp
5.5942
H Acceptors
7
H Donors
1
Rotatable Bonds
15
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SAFETY INFORMATION
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₉H₄₇N₃O₇
Molecular Weight: 669.81
Synonyms: None
SMILES: CC[C@H](C)[C@@H](C(OCC=C)=O)N(C([C@H](C)N(C([C@H](CC1=CC=C(OC)C=C1)NC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O)=O)C)=O)C
Tpsa: 114.48
Logp: 5.5942
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 15
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₉H₄₇N₃O₇
Molecular Weight:
669.81
Synonyms:
None
SMILES:
CC[C@H](C)[C@@H](C(OCC=C)=O)N(C([C@H](C)N(C([C@H](CC1=CC=C(OC)C=C1)NC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O)=O)C)=O)C
Tpsa:
114.48
Logp:
5.5942
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
15
Purity: 98%
MDL No: MFCD00065663
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₃₀N₂O₆
Molecular Weight: 502.56
Synonyms: None
SMILES: O=C(O)[C@@H](CCCCNC(OCC1=CC=CC=C1)=O)NC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O
Tpsa: 113.96
Logp: 5.075
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
MFCD00065663
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₀N₂O₆
Molecular Weight:
502.56
Synonyms:
None
SMILES:
O=C(O)[C@@H](CCCCNC(OCC1=CC=CC=C1)=O)NC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O
Tpsa:
113.96
Logp:
5.075
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
11
Purity: 98%
MDL No: MFCD28246335
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₉FO₂
Molecular Weight: 180.18
Synonyms: trans-2-(3-Fluoro-phenyl)-cyclopropanecarboxylic acid
SMILES: O=C([C@H]1[C@H](C2=CC=CC(F)=C2)C1)O
Tpsa: 37.3
Logp: 2.0138
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD28246335
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₉FO₂
Molecular Weight:
180.18
Synonyms:
trans-2-(3-Fluoro-phenyl)-cyclopropanecarboxylic acid
SMILES:
O=C([C@H]1[C@H](C2=CC=CC(F)=C2)C1)O
Tpsa:
37.3
Logp:
2.0138
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2
Purity: 97%
MDL No: MFCD29049179
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₉BrO₂
Molecular Weight: 241.08
Synonyms: trans-(+)-2-(2-Bromo-phenyl)-cyclopropanecarboxylic Acid
SMILES: O=C([C@@H]1[C@@H](C2=CC=CC=C2Br)C1)O
Tpsa: 37.3
Logp: 2.6372
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
MFCD29049179
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₉BrO₂
Molecular Weight:
241.08
Synonyms:
trans-(+)-2-(2-Bromo-phenyl)-cyclopropanecarboxylic Acid
SMILES:
O=C([C@@H]1[C@@H](C2=CC=CC=C2Br)C1)O
Tpsa:
37.3
Logp:
2.6372
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2