Abate sulfone
TL;DR: Abate sulfone (CAS 1174-83-0) is a chemical compound with molecular formula C16H20O8P2S3 and molecular weight 497.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-dimethoxyphosphinothioyloxyphenyl)sulfonylphenoxy]-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Abate sulfone, Temephos sulfone, American cyanamid CL-43913, American cyanamid E.I. 43,913, American cyanamid AC 43,913
| Molecular Formula | C16H20O8P2S3 |
|---|---|
| Molecular Weight | 497.98 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 497.97955 |
| Heavy Atoms | 29 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 1174-83-0 |
|---|---|
| SMILES | COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OP(=S)(OC)OC |
| InChIKey | ZFHDDQUVNSDLLJ-UHFFFAOYSA-N |
Product Overview
Abate sulfone (CAS 1174-83-0), with molecular formula C16H20O8P2S3 and molecular weight 497.98 g/mol. IUPAC: [4-(4-dimethoxyphosphinothioyloxyphenyl)sulfonylphenoxy]-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Abate sulfone
Property Insights of Abate sulfone
The XLogP value of 4.7 indicates that Abate sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting Abate sulfone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Abate sulfone has 0 hydrogen bond donor(s) and 10 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 Abate sulfone?
The CAS number of Abate sulfone is 1174-83-0.
What is the molecular formula of Abate sulfone?
The molecular formula of Abate sulfone is C16H20O8P2S3.
What is the molecular weight of Abate sulfone?
The molecular weight of Abate sulfone is 497.98 g/mol.
Where can I buy Abate sulfone?
You can request a quote for Abate sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abate sulfone?
Yes, KEHONG BIO provides custom synthesis services for Abate sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.