(tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate
TL;DR: (tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate (CAS 1042069-07-7) is a chemical compound with molecular formula C19H22ClN3O5S and molecular weight 439.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxolan-2-ylmethyl 2-[1-[(2-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: (tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate, VU0508759-1, oxolan-2-ylmethyl 2-[1-[(2-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate, F3087-4645, (oxolan-2-yl)methyl 2-(1-{[(2-chlorophenyl)formamido]methanethioyl}-3-oxopiperazin-2-yl)acetate
| Molecular Formula | C19H22ClN3O5S |
|---|---|
| Molecular Weight | 439.10 g/mol |
| LogP | 1.2674 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.09686 |
| Heavy Atoms | 29 |
| Complexity | 799.8042 |
Chemical Identifiers
| CAS Number | 1042069-07-7 |
|---|---|
| SMILES | C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=CC=CC=C3Cl |
Product Overview
(tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate (CAS 1042069-07-7), with molecular formula C19H22ClN3O5S and molecular weight 439.10 g/mol. IUPAC: oxolan-2-ylmethyl 2-[1-[(2-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of (tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate
Property Insights of (tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate
The XLogP value of 1.2674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for (tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate. Following Lipinski's Rule of Five, (tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)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 (tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate?
The CAS number of (tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate is 1042069-07-7.
What is the molecular formula of (tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate?
The molecular formula of (tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate is C19H22ClN3O5S.
What is the molecular weight of (tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate?
The molecular weight of (tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate is 439.10 g/mol.
Where can I buy (tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate?
You can request a quote for (tetrahydrofuran-2-yl)methyl 2-(1-((2-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 (tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (tetrahydrofuran-2-yl)methyl 2-(1-((2-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.