Chlorthal-monomethyl
TL;DR: Chlorthal-monomethyl (CAS 887-54-7) is a chemical compound with molecular formula C9H4Cl4O4 and molecular weight 315.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrachloro-4-methoxycarbonylbenzoic acid
Also Known As: Chlorthal-monomethyl, DACTHAL MONOACID, Chlorthal monomethyl, Tetral, Chlorthal-monomethyl [ISO]
| Molecular Formula | C9H4Cl4O4 |
|---|---|
| Molecular Weight | 315.89 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.88342 |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 887-54-7 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl |
| InChIKey | SXINVWXSZUQKSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorthal-monomethyl (CAS 887-54-7), with molecular formula C9H4Cl4O4 and molecular weight 315.89 g/mol. IUPAC: 2,3,5,6-tetrachloro-4-methoxycarbonylbenzoic acid.
Chemical Property Profile of Chlorthal-monomethyl
Property Insights of Chlorthal-monomethyl
The XLogP value of 4.1 indicates that Chlorthal-monomethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorthal-monomethyl. Following Lipinski's Rule of Five, Chlorthal-monomethyl has 1 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 Chlorthal-monomethyl?
The CAS number of Chlorthal-monomethyl is 887-54-7.
What is the molecular formula of Chlorthal-monomethyl?
The molecular formula of Chlorthal-monomethyl is C9H4Cl4O4.
What is the molecular weight of Chlorthal-monomethyl?
The molecular weight of Chlorthal-monomethyl is 315.89 g/mol.
Where can I buy Chlorthal-monomethyl?
You can request a quote for Chlorthal-monomethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorthal-monomethyl?
Yes, KEHONG BIO provides custom synthesis services for Chlorthal-monomethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.