![methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate structure](/static/products/3031/303145-89-3.webp)
methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate
TL;DR: methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate (CAS 303145-89-3) 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 3-[(4-chlorodithiazol-5-ylidene)amino]benzoate
Also Known As: methyl 3-[(4-chlorodithiazol-5-ylidene)amino]benzoate, 11K-049, methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate, methyl 3-{[(5Z)-4-chloro-5H-1,2,3-dithiazol-5-ylidene]amino}benzoate, METHYL 3-[(4-CHLORO-1,2,3-DITHIAZOL-5-YLIDENE)AMINO]BENZOATE
| Molecular Formula | C10H7ClN2O2S2 |
|---|---|
| Molecular Weight | 285.96 g/mol |
| LogP | 2.877 |
| Topological Polar Surface Area | 51.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.96375 |
| Heavy Atoms | 17 |
| Complexity | 606.1034 |
Chemical Identifiers
| CAS Number | 303145-89-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)N=C2C(=NSS2)Cl |
Product Overview
methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate (CAS 303145-89-3), with molecular formula C10H7ClN2O2S2 and molecular weight 285.96 g/mol. IUPAC: methyl 3-[(4-chlorodithiazol-5-ylidene)amino]benzoate.
Chemical Property Profile of methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate
Property Insights of methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate
The XLogP value of 2.877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate. With a topological polar surface area (TPSA) of 51.55 Ų, methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate 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 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate?
The CAS number of methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate is 303145-89-3.
What is the molecular formula of methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate?
The molecular formula of methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate is C10H7ClN2O2S2.
What is the molecular weight of methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate?
The molecular weight of methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate is 285.96 g/mol.
Where can I buy methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate?
You can request a quote for methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.