RefChem:333530
TL;DR: RefChem:333530 (CAS 90619-16-2) is a chemical compound with molecular formula C15H17NO4S2 and molecular weight 339.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(2-methylpropyl) [2-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]sulfanylmethanethioate
Also Known As: Carbonodithioic acid, S-(2-(2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)-2-oxoethyl) O-(2-methylpropyl) ester, O-(2-METHYLPROPYL)[2-OXO-2-(3-OXO-1,4-BENZOXAZIN-4-YL)ETHYL]SULFANYLMETHANETHIOATE, CARBONODITHIOIC ACID, S-(2-(2,3-DIHYDRO-3-OXO-4H-1,4-BENZOXAZIN-4-YL)-2-OXOETHYL, O-(2-methylpropyl) [2-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]sulfanylmethanethioate, O-(2-methylpropyl) S-[2-oxo-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl] carbonodithioate
| Molecular Formula | C15H17NO4S2 |
|---|---|
| Molecular Weight | 339.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.0599 |
| Heavy Atoms | 22 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 90619-16-2 |
|---|---|
| SMILES | CC(C)COC(=S)SCC(=O)N1C(=O)COC2=CC=CC=C21 |
| InChIKey | RTZXWLZRYBZQMK-UHFFFAOYSA-N |
Product Overview
RefChem:333530 (CAS 90619-16-2), with molecular formula C15H17NO4S2 and molecular weight 339.06 g/mol. IUPAC: O-(2-methylpropyl) [2-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]sulfanylmethanethioate.
Chemical Property Profile of RefChem:333530
Property Insights of RefChem:333530
The XLogP value of 3.6 indicates that RefChem:333530 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:333530. Following Lipinski's Rule of Five, RefChem:333530 has 0 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 RefChem:333530?
The CAS number of RefChem:333530 is 90619-16-2.
What is the molecular formula of RefChem:333530?
The molecular formula of RefChem:333530 is C15H17NO4S2.
What is the molecular weight of RefChem:333530?
The molecular weight of RefChem:333530 is 339.06 g/mol.
Where can I buy RefChem:333530?
You can request a quote for RefChem:333530 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333530?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.