![Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate structure](/static/products/3545/354545-59-8.webp)
Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate
TL;DR: Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate (CAS 354545-59-8) is a chemical compound with molecular formula C19H14ClNO5S and molecular weight 403.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzene-1,4-dicarboxylate
Also Known As: AB00093556-01, dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate, dimethyl 2-(3-chlorobenzo[b]thiophene-2-carboxamido)terephthalate, dimethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzene-1,4-dicarboxylate, 1,4-dimethyl 2-(3-chloro-1-benzothiophene-2-amido)benzene-1,4-dicarboxylate
| Molecular Formula | C19H14ClNO5S |
|---|---|
| Molecular Weight | 403.03 g/mol |
| LogP | 4.3802 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.0281 |
| Heavy Atoms | 27 |
| Complexity | 1059.4347 |
Chemical Identifiers
| CAS Number | 354545-59-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate (CAS 354545-59-8), with molecular formula C19H14ClNO5S and molecular weight 403.03 g/mol. IUPAC: dimethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate
Property Insights of Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate
The XLogP value of 4.3802 indicates that Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate has 1 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 Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate?
The CAS number of Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate is 354545-59-8.
What is the molecular formula of Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate?
The molecular formula of Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate is C19H14ClNO5S.
What is the molecular weight of Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate?
The molecular weight of Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate is 403.03 g/mol.
Where can I buy Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate?
You can request a quote for Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.