CS-0587550
3-((2-Amino-4-(pyrrolidin-1-ylsulfonyl)phenyl)amino)propanoic acid
Manufacturer: ChemScene
CAS Number: 933231-85-7
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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
C₁₃H₁₉N₃O₄S
Molecular Weight
313.37
Synonyms
N-[2-Amino-4-(pyrrolidin-1-ylsulfonyl)-phenyl]-beta-alanine
SMILES
O=C(O)CCNC1=CC=C(S(=O)(N2CCCC2)=O)C=C1N
Tpsa
112.73
Logp
0.9399
H Acceptors
5
H Donors
3
Rotatable Bonds
6
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₉N₃O₄S
Molecular Weight: 313.37
Synonyms: N-[2-Amino-4-(pyrrolidin-1-ylsulfonyl)-phenyl]-beta-alanine
SMILES: O=C(O)CCNC1=CC=C(S(=O)(N2CCCC2)=O)C=C1N
Tpsa: 112.73
Logp: 0.9399
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₉N₃O₄S
Molecular Weight:
313.37
Synonyms:
N-[2-Amino-4-(pyrrolidin-1-ylsulfonyl)-phenyl]-beta-alanine
SMILES:
O=C(O)CCNC1=CC=C(S(=O)(N2CCCC2)=O)C=C1N
Tpsa:
112.73
Logp:
0.9399
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₄ClN₃O
Molecular Weight: 263.72
Synonyms: None
SMILES: C1CCNC(C1)C2=NC(=NO2)C3=CC(=CC=C3)Cl
Tpsa: 50.95
Logp: 3.2046
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₄ClN₃O
Molecular Weight:
263.72
Synonyms:
None
SMILES:
C1CCNC(C1)C2=NC(=NO2)C3=CC(=CC=C3)Cl
Tpsa:
50.95
Logp:
3.2046
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₂N₂O₄
Molecular Weight: 318.37
Synonyms: None
SMILES: CCOC(=O)CCCN1CCN(C(=O)C1=O)CC2=CC=CC=C2
Tpsa: 66.92
Logp: 1.2007
H Acceptors: 4
H Donors: 0
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:
C₁₇H₂₂N₂O₄
Molecular Weight:
318.37
Synonyms:
None
SMILES:
CCOC(=O)CCCN1CCN(C(=O)C1=O)CC2=CC=CC=C2
Tpsa:
66.92
Logp:
1.2007
H Acceptors:
4
H Donors:
0
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: C₁₁H₁₁F₃O₂
Molecular Weight: 232.20
Synonyms: None
SMILES: C1=CC=C(C=C1)CCC(C(=O)O)C(F)(F)F
Tpsa: 37.3
Logp: 2.8823
H Acceptors: 1
H Donors: 1
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:
C₁₁H₁₁F₃O₂
Molecular Weight:
232.20
Synonyms:
None
SMILES:
C1=CC=C(C=C1)CCC(C(=O)O)C(F)(F)F
Tpsa:
37.3
Logp:
2.8823
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
4