2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid
TL;DR: 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid (CAS 180179-65-1) is a chemical compound with molecular formula C15H14ClNO4 and molecular weight 307.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-3-methylbutanoic acid
Also Known As: 2-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid, 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-3-methylbutanoic acid, F1268-0152, 2-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-3-methylbutanoic acid, N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)valine
| Molecular Formula | C15H14ClNO4 |
|---|---|
| Molecular Weight | 307.06 g/mol |
| LogP | 2.2148 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.06113 |
| Heavy Atoms | 21 |
| Complexity | 663.3924 |
Chemical Identifiers
| CAS Number | 180179-65-1 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
Product Overview
2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid (CAS 180179-65-1), with molecular formula C15H14ClNO4 and molecular weight 307.06 g/mol. IUPAC: 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-3-methylbutanoic acid.
Chemical Property Profile of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid
Property Insights of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid
The XLogP value of 2.2148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid has 2 hydrogen bond donor(s) and 4 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-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid?
The CAS number of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid is 180179-65-1.
What is the molecular formula of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid?
The molecular formula of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid is C15H14ClNO4.
What is the molecular weight of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid?
The molecular weight of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid is 307.06 g/mol.
Where can I buy 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid?
You can request a quote for 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.