ChemDiv3_001054
TL;DR: ChemDiv3_001054 (CAS 328084-61-3) is a chemical compound with molecular formula C12H15ClNO4PS3 and molecular weight 398.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-(diethoxyphosphinothioylsulfanylmethylsulfanyl)-1,3-benzoxazol-2-one
Also Known As: ChemDiv3_001054, IDI1_020020, S-{[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)sulfanyl]methyl} O,O-diethyl phosphorodithioate, 6-chloro-3-(diethoxyphosphinothioylsulfanylmethylsulfanyl)-1,3-benzoxazol-2-one, O,O-DIETHYL ({[(6-CHLORO-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)SULFANYL]METHYL}SULFANYL)PHOSPHONOTHIOATE
| Molecular Formula | C12H15ClNO4PS3 |
|---|---|
| Molecular Weight | 398.96 g/mol |
| LogP | 4.7324 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.95892 |
| Heavy Atoms | 22 |
| Complexity | 737.53687 |
Chemical Identifiers
| CAS Number | 328084-61-3 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCSN1C2=C(C=C(C=C2)Cl)OC1=O |
Product Overview
ChemDiv3_001054 (CAS 328084-61-3), with molecular formula C12H15ClNO4PS3 and molecular weight 398.96 g/mol. IUPAC: 6-chloro-3-(diethoxyphosphinothioylsulfanylmethylsulfanyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of ChemDiv3_001054
Property Insights of ChemDiv3_001054
The XLogP value of 4.7324 indicates that ChemDiv3_001054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, ChemDiv3_001054 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_001054 has 0 hydrogen bond donor(s) and 7 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 ChemDiv3_001054?
The CAS number of ChemDiv3_001054 is 328084-61-3.
What is the molecular formula of ChemDiv3_001054?
The molecular formula of ChemDiv3_001054 is C12H15ClNO4PS3.
What is the molecular weight of ChemDiv3_001054?
The molecular weight of ChemDiv3_001054 is 398.96 g/mol.
Where can I buy ChemDiv3_001054?
You can request a quote for ChemDiv3_001054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001054?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.