![methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate structure](/static/products/890/890179-88-1.png)
methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate
TL;DR: methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate (CAS 890179-88-1) is a chemical compound with molecular formula C22H22ClN3O3S and molecular weight 443.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
Also Known As: methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate, AP-970/43268768, methyl 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate, methyl 3-(3-chlorobenzo[b]thiophene-2-carboxamido)-4-(4-methylpiperazin-1-yl)benzoate, Methyl 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
| Molecular Formula | C22H22ClN3O3S |
|---|---|
| Molecular Weight | 443.11 g/mol |
| LogP | 4.3454 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.10703 |
| Heavy Atoms | 30 |
| Complexity | 1106.2009 |
Chemical Identifiers
| CAS Number | 890179-88-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate (CAS 890179-88-1), with molecular formula C22H22ClN3O3S and molecular weight 443.11 g/mol. IUPAC: methyl 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate.
Chemical Property Profile of methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate
Property Insights of methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate
The XLogP value of 4.3454 indicates that methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate. Following Lipinski's Rule of Five, methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate 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 methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate?
The CAS number of methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate is 890179-88-1.
What is the molecular formula of methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate?
The molecular formula of methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate is C22H22ClN3O3S.
What is the molecular weight of methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate?
The molecular weight of methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate is 443.11 g/mol.
Where can I buy methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate?
You can request a quote for methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-(4-methyl-1-piperazinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.