4-Chlorophthalamide
TL;DR: 4-Chlorophthalamide (CAS 96385-49-8) is a chemical compound with molecular formula C8H7ClN2O2 and molecular weight 198.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobenzene-1,2-dicarboxamide
Also Known As: 4-Chlorophthalamide, 4-chlorobenzene-1,2-dicarboxamide, 4-Chlor-phthalsaeure-diamid, 6755AC
| Molecular Formula | C8H7ClN2O2 |
|---|---|
| Molecular Weight | 198.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.0196 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 96385-49-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C(=O)N)C(=O)N |
| InChIKey | YGIFSVAYJLFDLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorophthalamide (CAS 96385-49-8), with molecular formula C8H7ClN2O2 and molecular weight 198.02 g/mol. IUPAC: 4-chlorobenzene-1,2-dicarboxamide.
Chemical Property Profile of 4-Chlorophthalamide
Property Insights of 4-Chlorophthalamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophthalamide. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorophthalamide. Following Lipinski's Rule of Five, 4-Chlorophthalamide has 2 hydrogen bond donor(s) and 2 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 4-Chlorophthalamide?
The CAS number of 4-Chlorophthalamide is 96385-49-8.
What is the molecular formula of 4-Chlorophthalamide?
The molecular formula of 4-Chlorophthalamide is C8H7ClN2O2.
What is the molecular weight of 4-Chlorophthalamide?
The molecular weight of 4-Chlorophthalamide is 198.02 g/mol.
Where can I buy 4-Chlorophthalamide?
You can request a quote for 4-Chlorophthalamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophthalamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophthalamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.