4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide
TL;DR: 4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide (CAS 40068-35-7) is a chemical compound with molecular formula C14H18NO2PS and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethoxy-1-phenyl-1-sulfanylidene-1λ5-phosphinane-3-carbonitrile
Also Known As: 4,4-dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide, 4,4-dimethoxy-1-phenyl-1-sulfanylidene-1, 4,4-dimethoxy-1-phenyl-1-sulfanylidene-1lambda5-phosphinane-3-car, 4,4-dimethoxy-1-phenyl-1-sulfanylidene-1, E5-phosphinane-3-carbonitrile
| Molecular Formula | C14H18NO2PS |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.0796 |
| Heavy Atoms | 19 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 40068-35-7 |
|---|---|
| SMILES | COC1(CCP(=S)(CC1C#N)C2=CC=CC=C2)OC |
| InChIKey | QETDYAKJXWHDGQ-UHFFFAOYSA-N |
Product Overview
4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide (CAS 40068-35-7), with molecular formula C14H18NO2PS and molecular weight 295.08 g/mol. IUPAC: 4,4-dimethoxy-1-phenyl-1-sulfanylidene-1λ5-phosphinane-3-carbonitrile.
Chemical Property Profile of 4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide
Property Insights of 4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide. Following Lipinski's Rule of Five, 4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide has 0 hydrogen bond donor(s) and 4 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 4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide?
The CAS number of 4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide is 40068-35-7.
What is the molecular formula of 4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide?
The molecular formula of 4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide is C14H18NO2PS.
What is the molecular weight of 4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide?
The molecular weight of 4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide is 295.08 g/mol.
Where can I buy 4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide?
You can request a quote for 4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethoxy-1-phenylphosphinane-3-carbonitrile 1-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.