1,3-苯并二硫杂环戊-2-基膦酸二甲酯
TL;DR: 1,3-苯并二硫杂环戊-2-基膦酸二甲酯 (CAS 62217-35-0) is a chemical compound with molecular formula C9H11O3PS2 and molecular weight 261.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-苯并二硫杂环戊-2-基膦酸二甲酯
2-dimethoxyphosphoryl-1,3-benzodithiole
Also Known As: Dimethyl 1,3-Benzodithiol-2-ylphosphonate, 2-dimethoxyphosphoryl-1,3-benzodithiole, 2-Dimethoxyphosphinyl-1,3-benzodithiole, Dimethyl benzo[d][1,3]dithiol-2-ylphosphonate, Dimethyl1,3-benzodithiol-2-ylphosphonate
| Molecular Formula | C9H11O3PS2 |
|---|---|
| Molecular Weight | 261.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.9887 |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 62217-35-0 |
|---|---|
| SMILES | COP(=O)(C1SC2=CC=CC=C2S1)OC |
| InChIKey | VKVOUPYVLWQXLB-UHFFFAOYSA-N |
Product Overview
1,3-苯并二硫杂环戊-2-基膦酸二甲酯 (CAS 62217-35-0), with molecular formula C9H11O3PS2 and molecular weight 261.99 g/mol. IUPAC: 2-dimethoxyphosphoryl-1,3-benzodithiole.
Chemical Property Profile of 1,3-苯并二硫杂环戊-2-基膦酸二甲酯
Property Insights of 1,3-苯并二硫杂环戊-2-基膦酸二甲酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-苯并二硫杂环戊-2-基膦酸二甲酯. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-苯并二硫杂环戊-2-基膦酸二甲酯. Following Lipinski's Rule of Five, 1,3-苯并二硫杂环戊-2-基膦酸二甲酯 has 0 hydrogen bond donor(s) and 5 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 1,3-苯并二硫杂环戊-2-基膦酸二甲酯?
The CAS number of 1,3-苯并二硫杂环戊-2-基膦酸二甲酯 is 62217-35-0.
What is the molecular formula of 1,3-苯并二硫杂环戊-2-基膦酸二甲酯?
The molecular formula of 1,3-苯并二硫杂环戊-2-基膦酸二甲酯 is C9H11O3PS2.
What is the molecular weight of 1,3-苯并二硫杂环戊-2-基膦酸二甲酯?
The molecular weight of 1,3-苯并二硫杂环戊-2-基膦酸二甲酯 is 261.99 g/mol.
Where can I buy 1,3-苯并二硫杂环戊-2-基膦酸二甲酯?
You can request a quote for 1,3-苯并二硫杂环戊-2-基膦酸二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-苯并二硫杂环戊-2-基膦酸二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 1,3-苯并二硫杂环戊-2-基膦酸二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.