RefChem:332840
TL;DR: RefChem:332840 (CAS 90619-21-9) is a chemical compound with molecular formula C15H18N2O3S2 and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl] N,N-diethylcarbamodithioate
Also Known As: Carbamodithioic acid, diethyl-, 2-(2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)-2-oxoethyl ester, 2-(2,3-Dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)-2-oxoethyl diethylcarbamodithioate, Diethylcarbamodithioic acid 2-(2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)-2-oxoethyl ester, [2-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl] N,N-diethylcarbamodithioate, 2-Oxo-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl diethylcarbamodithioate
| Molecular Formula | C15H18N2O3S2 |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.0759 |
| Heavy Atoms | 22 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 90619-21-9 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC(=O)N1C(=O)COC2=CC=CC=C21 |
| InChIKey | GKDATFCWAXJWBM-UHFFFAOYSA-N |
Product Overview
RefChem:332840 (CAS 90619-21-9), with molecular formula C15H18N2O3S2 and molecular weight 338.08 g/mol. IUPAC: [2-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl] N,N-diethylcarbamodithioate.
Chemical Property Profile of RefChem:332840
Property Insights of RefChem:332840
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:332840. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332840. Following Lipinski's Rule of Five, RefChem:332840 has 0 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 RefChem:332840?
The CAS number of RefChem:332840 is 90619-21-9.
What is the molecular formula of RefChem:332840?
The molecular formula of RefChem:332840 is C15H18N2O3S2.
What is the molecular weight of RefChem:332840?
The molecular weight of RefChem:332840 is 338.08 g/mol.
Where can I buy RefChem:332840?
You can request a quote for RefChem:332840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332840?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.