Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate
TL;DR: Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate (CAS 1008070-89-0) is a chemical compound with molecular formula C15H16ClN3O4S and molecular weight 369.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: VU0508757-1, methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate, methyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate, F3087-4345, METHYL 2-(1-{[(3-CHLOROPHENYL)FORMAMIDO]METHANETHIOYL}-3-OXOPIPERAZIN-2-YL)ACETATE
| Molecular Formula | C15H16ClN3O4S |
|---|---|
| Molecular Weight | 369.06 g/mol |
| LogP | 0.7182 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.055 |
| Heavy Atoms | 24 |
| Complexity | 682.4379 |
Chemical Identifiers
| CAS Number | 1008070-89-0 |
|---|---|
| SMILES | COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)Cl |
Product Overview
Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate (CAS 1008070-89-0), with molecular formula C15H16ClN3O4S and molecular weight 369.06 g/mol. IUPAC: methyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate
Property Insights of Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate
The XLogP value of 0.7182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate. Following Lipinski's Rule of Five, Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate has 2 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 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate?
The CAS number of Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate is 1008070-89-0.
What is the molecular formula of Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate?
The molecular formula of Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate is C15H16ClN3O4S.
What is the molecular weight of Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate?
The molecular weight of Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate is 369.06 g/mol.
Where can I buy Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate?
You can request a quote for Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.