![methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate structure](/static/products/853/853995-64-9.png)
methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate
TL;DR: methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate (CAS 853995-64-9) is a chemical compound with molecular formula C10H7ClN2O2S2 and molecular weight 285.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-chlorodithiazol-5-ylidene)amino]benzoate
Also Known As: J1.024.555I, methyl 2-[(4-chlorodithiazol-5-ylidene)amino]benzoate, methyl N-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-anthranilate, methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate, methyl 2-[(4-chloro-5H-1,2,3-dithiazol-5-ylidene)amino]benzoate
| Molecular Formula | C10H7ClN2O2S2 |
|---|---|
| Molecular Weight | 285.96 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.96375 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 853995-64-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N=C2C(=NSS2)Cl |
| InChIKey | HLBCMPGFJBFSRG-UHFFFAOYSA-N |
Product Overview
methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate (CAS 853995-64-9), with molecular formula C10H7ClN2O2S2 and molecular weight 285.96 g/mol. IUPAC: methyl 2-[(4-chlorodithiazol-5-ylidene)amino]benzoate.
Chemical Property Profile of methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate
Property Insights of methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate
The XLogP value of 3.4 indicates that methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate. Following Lipinski's Rule of Five, methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate has 0 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 methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate?
The CAS number of methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate is 853995-64-9.
What is the molecular formula of methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate?
The molecular formula of methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate is C10H7ClN2O2S2.
What is the molecular weight of methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate?
The molecular weight of methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate is 285.96 g/mol.
Where can I buy methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate?
You can request a quote for methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.