![methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate structure](/static/products/1007/1007999-84-9.webp)
methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate
TL;DR: methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate (CAS 1007999-84-9) is a chemical compound with molecular formula C17H16ClN3O4S2 and molecular weight 425.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate, methyl 2-[1-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate, 2-[1-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester, methyl (1-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate, methyl 2-(1-((3-chlorobenzo[b]thiophene-2-carbonyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate
| Molecular Formula | C17H16ClN3O4S2 |
|---|---|
| Molecular Weight | 425.03 g/mol |
| LogP | 1.9329 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.02707 |
| Heavy Atoms | 27 |
| Complexity | 930.0393 |
Chemical Identifiers
| CAS Number | 1007999-84-9 |
|---|---|
| SMILES | COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate (CAS 1007999-84-9), with molecular formula C17H16ClN3O4S2 and molecular weight 425.03 g/mol. IUPAC: methyl 2-[1-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate
Property Insights of methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate
The XLogP value of 1.9329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate. Following Lipinski's Rule of Five, methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate has 2 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 [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate?
The CAS number of methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate is 1007999-84-9.
What is the molecular formula of methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate?
The molecular formula of methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate is C17H16ClN3O4S2.
What is the molecular weight of methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate?
The molecular weight of methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate is 425.03 g/mol.
Where can I buy methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate?
You can request a quote for methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.