2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid
TL;DR: 2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid (CAS 256477-09-5) is a chemical compound with molecular formula C14H16ClN5O4S and molecular weight 385.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]-2-methylpropanoic acid
Also Known As: substituted glycine deriv. 26, EX-A1281, UK 371,804, 2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]-2-methylpropanoic acid, 2-(1-CARBAMIMIDAMIDO-4-CHLOROISOQUINOLINE-7-SULFONAMIDO)-2-METHYLPROPANOIC ACID
| Molecular Formula | C14H16ClN5O4S |
|---|---|
| Molecular Weight | 385.06 g/mol |
| LogP | 0.9346 |
| Topological Polar Surface Area | 160.76 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.06116 |
| Heavy Atoms | 25 |
| Complexity | 984.1248 |
Chemical Identifiers
| CAS Number | 256477-09-5 |
|---|---|
| SMILES | CC(C)(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2N=C(N)N)Cl |
Product Overview
2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid (CAS 256477-09-5), with molecular formula C14H16ClN5O4S and molecular weight 385.06 g/mol. IUPAC: 2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]-2-methylpropanoic acid.
Chemical Property Profile of 2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid
Property Insights of 2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid
The XLogP value of 0.9346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid. The TPSA of 160.76 Ų indicates high polarity, suggesting 2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid?
The CAS number of 2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid is 256477-09-5.
What is the molecular formula of 2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid?
The molecular formula of 2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid is C14H16ClN5O4S.
What is the molecular weight of 2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid?
The molecular weight of 2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid is 385.06 g/mol.
Where can I buy 2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid?
You can request a quote for 2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((4-Chloro-1-guanidino-7-isoquinolinyl)sulfonyl)amino)isobutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.