cis-Thiono-bomyl
TL;DR: cis-Thiono-bomyl (CAS 21395-86-8) is a chemical compound with molecular formula C9H15O7PS and molecular weight 298.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (Z)-3-dimethoxyphosphinothioyloxypent-2-enedioate
Also Known As: cis-Thiono-bomyl, trans-3-Hydroxyglutaconic acid dimethyl ester O,O-dimethylphosphorothioate, dimethyl (Z)-3-dimethoxyphosphinothioyloxypent-2-enedioate, Glutaconic acid, 3-hydroxy-, dimethyl ester, O-ester with O,O-dimethylphosphorothioate, (E)-, RefChem:1085867
| Molecular Formula | C9H15O7PS |
|---|---|
| Molecular Weight | 298.03 g/mol |
| LogP | 1.1403 |
| Topological Polar Surface Area | 80.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.02762 |
| Heavy Atoms | 18 |
| Complexity | 371.11243 |
Chemical Identifiers
| CAS Number | 21395-86-8 |
|---|---|
| SMILES | COC(=O)C/C(=C/C(=O)OC)/OP(=S)(OC)OC |
Product Overview
cis-Thiono-bomyl (CAS 21395-86-8), with molecular formula C9H15O7PS and molecular weight 298.03 g/mol. IUPAC: dimethyl (Z)-3-dimethoxyphosphinothioyloxypent-2-enedioate.
Chemical Property Profile of cis-Thiono-bomyl
Property Insights of cis-Thiono-bomyl
The XLogP value of 1.1403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-Thiono-bomyl. The TPSA of 80.29 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-Thiono-bomyl. Following Lipinski's Rule of Five, cis-Thiono-bomyl has 0 hydrogen bond donor(s) and 8 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 cis-Thiono-bomyl?
The CAS number of cis-Thiono-bomyl is 21395-86-8.
What is the molecular formula of cis-Thiono-bomyl?
The molecular formula of cis-Thiono-bomyl is C9H15O7PS.
What is the molecular weight of cis-Thiono-bomyl?
The molecular weight of cis-Thiono-bomyl is 298.03 g/mol.
Where can I buy cis-Thiono-bomyl?
You can request a quote for cis-Thiono-bomyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-Thiono-bomyl?
Yes, KEHONG BIO provides custom synthesis services for cis-Thiono-bomyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.