C12H15ClNO4PS2
TL;DR: C12H15ClNO4PS2 (CAS 2279-71-2) is a chemical compound with molecular formula C12H15ClNO4PS2 and molecular weight 366.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one
Also Known As: O,O-Diethyl S-((5-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) phosphorodithionate, Phosphorodithioic acid, S-((5-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,O-diethyl ester, 5-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one, S-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl phosphorodithioate
| Molecular Formula | C12H15ClNO4PS2 |
|---|---|
| Molecular Weight | 366.99 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.98688 |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 2279-71-2 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCN1C2=C(C=CC(=C2)Cl)OC1=O |
| InChIKey | VUSUKLICGQQBFL-UHFFFAOYSA-N |
Product Overview
C12H15ClNO4PS2 (CAS 2279-71-2), with molecular formula C12H15ClNO4PS2 and molecular weight 366.99 g/mol. IUPAC: 5-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of C12H15ClNO4PS2
Property Insights of C12H15ClNO4PS2
The XLogP value of 4.4 indicates that C12H15ClNO4PS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C12H15ClNO4PS2. Following Lipinski's Rule of Five, C12H15ClNO4PS2 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 C12H15ClNO4PS2?
The CAS number of C12H15ClNO4PS2 is 2279-71-2.
What is the molecular formula of C12H15ClNO4PS2?
The molecular formula of C12H15ClNO4PS2 is C12H15ClNO4PS2.
What is the molecular weight of C12H15ClNO4PS2?
The molecular weight of C12H15ClNO4PS2 is 366.99 g/mol.
Where can I buy C12H15ClNO4PS2?
You can request a quote for C12H15ClNO4PS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H15ClNO4PS2?
Yes, KEHONG BIO provides custom synthesis services for C12H15ClNO4PS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.