CS-1000345
1-[5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-1-hydroxy-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic acid
Manufacturer: ChemScene
CAS Number: 107946-30-5
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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
C₂₃H₃₆N₆O₆S
Molecular Weight
524.63
Synonyms
None
SMILES
O=C(O)C1N(C(=O)C(NS(=O)(=O)C=2C=CC=C3C2N(O)CC(C)C3)CCCNC(=N)N)CCC(C)C1
Tpsa
189.15
Logp
0.69627
H Acceptors
7
H Donors
6
Rotatable Bonds
9
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: C₂₃H₃₆N₆O₆S
Molecular Weight: 524.63
Synonyms: None
SMILES: O=C(O)C1N(C(=O)C(NS(=O)(=O)C=2C=CC=C3C2N(O)CC(C)C3)CCCNC(=N)N)CCC(C)C1
Tpsa: 189.15
Logp: 0.69627
H Acceptors: 7
H Donors: 6
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₆N₆O₆S
Molecular Weight:
524.63
Synonyms:
None
SMILES:
O=C(O)C1N(C(=O)C(NS(=O)(=O)C=2C=CC=C3C2N(O)CC(C)C3)CCCNC(=N)N)CCC(C)C1
Tpsa:
189.15
Logp:
0.69627
H Acceptors:
7
H Donors:
6
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₂₈ClNO₂
Molecular Weight: 457.99
Synonyms: None
SMILES: C(=C/C1=CC(C(CCC2=C(C(C)(C)O)C=CC=C2)O)=CC=C1)\C3=NC4=C(C=C3)C=CC(Cl)=C4
Tpsa: 53.35
Logp: 6.9522
H Acceptors: 3
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:
C₂₉H₂₈ClNO₂
Molecular Weight:
457.99
Synonyms:
None
SMILES:
C(=C/C1=CC(C(CCC2=C(C(C)(C)O)C=CC=C2)O)=CC=C1)\C3=NC4=C(C=C3)C=CC(Cl)=C4
Tpsa:
53.35
Logp:
6.9522
H Acceptors:
3
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: C₁₂H₉NO
Molecular Weight: 183.21
Synonyms: None
SMILES: N#CCC1=CC=CC2=CC=C(O)C=C21
Tpsa: 44.02
Logp: 2.61148
H Acceptors: 2
H Donors: 1
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:
C₁₂H₉NO
Molecular Weight:
183.21
Synonyms:
None
SMILES:
N#CCC1=CC=CC2=CC=C(O)C=C21
Tpsa:
44.02
Logp:
2.61148
H Acceptors:
2
H Donors:
1
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: C₁₁H₁₃F₃
Molecular Weight: 202.22
Synonyms: None
SMILES: FC(F)(F)C=1C=CC=C(C1)CCCC
Tpsa: 0
Logp: 4.048
H Acceptors: 0
H Donors: 0
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:
C₁₁H₁₃F₃
Molecular Weight:
202.22
Synonyms:
None
SMILES:
FC(F)(F)C=1C=CC=C(C1)CCCC
Tpsa:
0
Logp:
4.048
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
3