C14H14FN3OS
TL;DR: C14H14FN3OS (CAS 866873-03-2) is a chemical compound with molecular formula C14H14FN3OS and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
Also Known As: 6-(4-fluorobenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-4(1H)-one, 6-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one, 6-[(4-fluorophenyl)methyl]-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one, 6-(4-fluorobenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-4(1H)-on, 6-[(4-fluorophenyl)methyl]-2-thioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
| Molecular Formula | C14H14FN3OS |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 2.12989 |
| Topological Polar Surface Area | 51.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.08417 |
| Heavy Atoms | 20 |
| Complexity | 735.31964 |
Chemical Identifiers
| CAS Number | 866873-03-2 |
|---|---|
| SMILES | C1CN(CC2=C1NC(=S)NC2=O)CC3=CC=C(C=C3)F |
Product Overview
C14H14FN3OS (CAS 866873-03-2), with molecular formula C14H14FN3OS and molecular weight 291.08 g/mol. IUPAC: 6-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
Chemical Property Profile of C14H14FN3OS
Property Insights of C14H14FN3OS
The XLogP value of 2.12989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H14FN3OS. With a topological polar surface area (TPSA) of 51.89 Ų, C14H14FN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C14H14FN3OS 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 C14H14FN3OS?
The CAS number of C14H14FN3OS is 866873-03-2.
What is the molecular formula of C14H14FN3OS?
The molecular formula of C14H14FN3OS is C14H14FN3OS.
What is the molecular weight of C14H14FN3OS?
The molecular weight of C14H14FN3OS is 291.08 g/mol.
Where can I buy C14H14FN3OS?
You can request a quote for C14H14FN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H14FN3OS?
Yes, KEHONG BIO provides custom synthesis services for C14H14FN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.