N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid
TL;DR: N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid (CAS 201480-20-8) is a chemical compound with molecular formula C14H10ClNO6 and molecular weight 323.02 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]butanedioic acid
Also Known As: 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]butanedioic acid, 2-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)succinic acid, N-(3-Chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-L-aspartic acid, N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid
| Molecular Formula | C14H10ClNO6 |
|---|---|
| Molecular Weight | 323.02 g/mol |
| LogP | 1.0335 |
| Topological Polar Surface Area | 120.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.01965 |
| Heavy Atoms | 22 |
| Complexity | 723.79816 |
Chemical Identifiers
| CAS Number | 201480-20-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(CC(=O)O)C(=O)O |
Product Overview
N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid (CAS 201480-20-8), with molecular formula C14H10ClNO6 and molecular weight 323.02 g/mol. IUPAC: 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]butanedioic acid.
Chemical Property Profile of N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid
Property Insights of N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid
The XLogP value of 1.0335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid. The TPSA of 120.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid. Following Lipinski's Rule of Five, N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic 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 N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid?
The CAS number of N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid is 201480-20-8.
What is the molecular formula of N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid?
The molecular formula of N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid is C14H10ClNO6.
What is the molecular weight of N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid?
The molecular weight of N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid is 323.02 g/mol.
Where can I buy N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid?
You can request a quote for N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.