![Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate structure](/static/products/4775/477548-52-0.webp)
Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
TL;DR: Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate (CAS 477548-52-0) is a chemical compound with molecular formula C16H11ClN2O3S and molecular weight 346.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
Also Known As: methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate, methyl 4-((4-chlorobenzo[d]thiazol-2-yl)carbamoyl)benzoate, F0866-0465, Methyl 4-[(4-chlorobenzothiazol-2-yl)carbamoyl]benzoate
| Molecular Formula | C16H11ClN2O3S |
|---|---|
| Molecular Weight | 346.02 g/mol |
| LogP | 3.9886 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.01788 |
| Heavy Atoms | 23 |
| Complexity | 889.9817 |
Chemical Identifiers
| CAS Number | 477548-52-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=CC=C3Cl |
Product Overview
Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate (CAS 477548-52-0), with molecular formula C16H11ClN2O3S and molecular weight 346.02 g/mol. IUPAC: methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate.
Chemical Property Profile of Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
Property Insights of Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
The XLogP value of 3.9886 indicates that Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate has 1 hydrogen bond donor(s) and 5 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 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate?
The CAS number of Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate is 477548-52-0.
What is the molecular formula of Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate?
The molecular formula of Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate is C16H11ClN2O3S.
What is the molecular weight of Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate?
The molecular weight of Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate is 346.02 g/mol.
Where can I buy Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate?
You can request a quote for Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.