![Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate structure](/static/products/329/329700-99-4.png)
Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate
TL;DR: Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate (CAS 329700-99-4) is a chemical compound with molecular formula C17H12ClNO3S and molecular weight 345.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate
Also Known As: BAS 00279175, methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate, methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate, methyl 2-[(3-chlorobenzo[b]thiophen-2-yl)carbonylamino]benzoate, methyl 2-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}benzoate
| Molecular Formula | C17H12ClNO3S |
|---|---|
| Molecular Weight | 345.02 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.02264 |
| Heavy Atoms | 23 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 329700-99-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3S2)Cl |
| InChIKey | FLLURPCNOVCBMK-UHFFFAOYSA-N |
Product Overview
Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate (CAS 329700-99-4), with molecular formula C17H12ClNO3S and molecular weight 345.02 g/mol. IUPAC: methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate.
Chemical Property Profile of Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate
Property Insights of Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate
The XLogP value of 5.1 indicates that Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate?
The CAS number of Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate is 329700-99-4.
What is the molecular formula of Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate?
The molecular formula of Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate is C17H12ClNO3S.
What is the molecular weight of Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate?
The molecular weight of Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate is 345.02 g/mol.
Where can I buy Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate?
You can request a quote for Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]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-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.