6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin
TL;DR: 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin (CAS 39873-54-6) is a chemical compound with molecular formula C13H13N2OPS2 and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinino[4,3-d]pyrimidin-4-one
Also Known As: 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin, 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinino[4,3-d]pyrimidin-4-one, 6-Phenyl-2,6-bis(sulfanylidene)-2,3,5,6,7,8-hexahydro-6lambda~5~-phosphinino[4,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C13H13N2OPS2 |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 2.29359 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.0207 |
| Heavy Atoms | 19 |
| Complexity | 779.2205 |
Chemical Identifiers
| CAS Number | 39873-54-6 |
|---|---|
| SMILES | C1CP(=S)(CC2=C1NC(=S)NC2=O)C3=CC=CC=C3 |
Product Overview
6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin (CAS 39873-54-6), with molecular formula C13H13N2OPS2 and molecular weight 308.02 g/mol. IUPAC: 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinino[4,3-d]pyrimidin-4-one.
Chemical Property Profile of 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin
Property Insights of 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin
The XLogP value of 2.29359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin. With a topological polar surface area (TPSA) of 48.65 Ų, 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin has 2 hydrogen bond donor(s) and 3 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 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin?
The CAS number of 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin is 39873-54-6.
What is the molecular formula of 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin?
The molecular formula of 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin is C13H13N2OPS2.
What is the molecular weight of 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin?
The molecular weight of 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin is 308.02 g/mol.
Where can I buy 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin?
You can request a quote for 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin?
Yes, KEHONG BIO provides custom synthesis services for 6-phenyl-2,6-bis(sulfanylidene)-1,5,7,8-tetrahydrophosphinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.