1,8-Naphthalenedicarboxylic acid, 4-chloro-
TL;DR: 1,8-Naphthalenedicarboxylic acid, 4-chloro- (CAS 13577-46-3) is a chemical compound with molecular formula C12H7ClO4 and molecular weight 250.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloronaphthalene-1,8-dicarboxylic acid
Also Known As: 4-Chloronaphthalic acid, 4-chloronaphthalene-1,8-dicarboxylic acid, Naphthalic acid, 4-chloro-, 1,8-Naphthalenedicarboxylic acid, 4-chloro-, 4-Chloro-1,8-naphthalenedicarboxylic acid
| Molecular Formula | C12H7ClO4 |
|---|---|
| Molecular Weight | 250.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.00328 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 13577-46-3 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2C(=C1)C(=O)O)C(=O)O)Cl |
| InChIKey | OESMXMMJMGTCAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,8-Naphthalenedicarboxylic acid, 4-chloro- (CAS 13577-46-3), with molecular formula C12H7ClO4 and molecular weight 250.00 g/mol. IUPAC: 4-chloronaphthalene-1,8-dicarboxylic acid.
Chemical Property Profile of 1,8-Naphthalenedicarboxylic acid, 4-chloro-
Property Insights of 1,8-Naphthalenedicarboxylic acid, 4-chloro-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Naphthalenedicarboxylic acid, 4-chloro-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-Naphthalenedicarboxylic acid, 4-chloro-. Following Lipinski's Rule of Five, 1,8-Naphthalenedicarboxylic acid, 4-chloro- 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 1,8-Naphthalenedicarboxylic acid, 4-chloro-?
The CAS number of 1,8-Naphthalenedicarboxylic acid, 4-chloro- is 13577-46-3.
What is the molecular formula of 1,8-Naphthalenedicarboxylic acid, 4-chloro-?
The molecular formula of 1,8-Naphthalenedicarboxylic acid, 4-chloro- is C12H7ClO4.
What is the molecular weight of 1,8-Naphthalenedicarboxylic acid, 4-chloro-?
The molecular weight of 1,8-Naphthalenedicarboxylic acid, 4-chloro- is 250.00 g/mol.
Where can I buy 1,8-Naphthalenedicarboxylic acid, 4-chloro-?
You can request a quote for 1,8-Naphthalenedicarboxylic acid, 4-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Naphthalenedicarboxylic acid, 4-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Naphthalenedicarboxylic acid, 4-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.