AB00094390-01
TL;DR: AB00094390-01 (CAS 131458-59-8) is a chemical compound with molecular formula C16H8ClNO6 and molecular weight 345.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-carboxy-3-chlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: AB00094390-01, A1782/0075554, 2-(4-carboxy-3-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, 2-(4-carboxy-3-chlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid, 2-(4-carboxy-3-chlorophenyl)-1,3-dioxo-5-isoindolinecarboxylic acid
| Molecular Formula | C16H8ClNO6 |
|---|---|
| Molecular Weight | 345.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.00403 |
| Heavy Atoms | 24 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 131458-59-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)C3=CC(=C(C=C3)C(=O)O)Cl |
| InChIKey | SWBIPVMOYZVEHV-UHFFFAOYSA-N |
Product Overview
AB00094390-01 (CAS 131458-59-8), with molecular formula C16H8ClNO6 and molecular weight 345.00 g/mol. IUPAC: 2-(4-carboxy-3-chlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of AB00094390-01
Property Insights of AB00094390-01
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00094390-01. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00094390-01. Following Lipinski's Rule of Five, AB00094390-01 has 2 hydrogen bond donor(s) and 6 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 AB00094390-01?
The CAS number of AB00094390-01 is 131458-59-8.
What is the molecular formula of AB00094390-01?
The molecular formula of AB00094390-01 is C16H8ClNO6.
What is the molecular weight of AB00094390-01?
The molecular weight of AB00094390-01 is 345.00 g/mol.
Where can I buy AB00094390-01?
You can request a quote for AB00094390-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00094390-01?
Yes, KEHONG BIO provides custom synthesis services for AB00094390-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.