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6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol
TL;DR: 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol (CAS 38626-64-1) is a chemical compound with molecular formula C13H13N2PS and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-1,5,7,8-tetrahydrophosphinino[4,3-d]pyrimidine-4-thione
Also Known As: S03-0378, 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol, 6-phenyl-1,5,7,8-tetrahydrophosphinino[4,3-d]pyrimidine-4-th, 6-phenyl-1,5,7,8-tetrahydrophosphinino[4,3-d]pyrimidine-4-thione, 6-phenyl-5,6,7,8-tetrahydrophosphinino[4,3-d]pyrimidine-4-thiol
| Molecular Formula | C13H13N2PS |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 3.00269 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.0537 |
| Heavy Atoms | 17 |
| Complexity | 579.4734 |
Chemical Identifiers
| CAS Number | 38626-64-1 |
|---|---|
| SMILES | C1CP(CC2=C1NC=NC2=S)C3=CC=CC=C3 |
Product Overview
6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol (CAS 38626-64-1), with molecular formula C13H13N2PS and molecular weight 260.05 g/mol. IUPAC: 6-phenyl-1,5,7,8-tetrahydrophosphinino[4,3-d]pyrimidine-4-thione.
Chemical Property Profile of 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol
Property Insights of 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol
The XLogP value of 3.00269 indicates that 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol has 1 hydrogen bond donor(s) and 2 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-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol?
The CAS number of 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol is 38626-64-1.
What is the molecular formula of 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol?
The molecular formula of 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol is C13H13N2PS.
What is the molecular weight of 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol?
The molecular weight of 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol is 260.05 g/mol.
Where can I buy 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol?
You can request a quote for 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 6-phenyl-7,8-dihydro-5H-phosphinino[3,4-e]pyrimidine-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.