![2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid structure](/static/products/223/223387-71-1.png)
2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid
TL;DR: 2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid (CAS 223387-71-1) is a chemical compound with molecular formula C16H17ClN2O5 and molecular weight 352.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid
Also Known As: 2-[(7-butoxy-1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic Acid
| Molecular Formula | C16H17ClN2O5 |
|---|---|
| Molecular Weight | 352.08 g/mol |
| LogP | 2.5871 |
| Topological Polar Surface Area | 108.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.0826 |
| Heavy Atoms | 24 |
| Complexity | 778.6421 |
Chemical Identifiers
| CAS Number | 223387-71-1 |
|---|---|
| SMILES | CCCCOC1=CC2=C(C=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)O |
Product Overview
2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid (CAS 223387-71-1), with molecular formula C16H17ClN2O5 and molecular weight 352.08 g/mol. IUPAC: 2-[(7-butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid.
Chemical Property Profile of 2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid
Property Insights of 2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid
The XLogP value of 2.5871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid. The TPSA of 108.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid. Following Lipinski's Rule of Five, 2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid has 3 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-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid?
The CAS number of 2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid is 223387-71-1.
What is the molecular formula of 2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid?
The molecular formula of 2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid is C16H17ClN2O5.
What is the molecular weight of 2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid?
The molecular weight of 2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid is 352.08 g/mol.
Where can I buy 2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid?
You can request a quote for 2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(7-Butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.