ChemDiv3_002446
TL;DR: ChemDiv3_002446 (CAS 450356-16-8) is a chemical compound with molecular formula C15H11FN2O3S and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: ChemDiv3_002446, BRD-K62450618-001-01-9, 3-(2-fluorobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C15H11FN2O3S |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 2.65202 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.04745 |
| Heavy Atoms | 22 |
| Complexity | 945.6008 |
Chemical Identifiers
| CAS Number | 450356-16-8 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3F)C(=O)O |
Product Overview
ChemDiv3_002446 (CAS 450356-16-8), with molecular formula C15H11FN2O3S and molecular weight 318.05 g/mol. IUPAC: 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of ChemDiv3_002446
Property Insights of ChemDiv3_002446
The XLogP value of 2.65202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_002446. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_002446. Following Lipinski's Rule of Five, ChemDiv3_002446 has 1 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 ChemDiv3_002446?
The CAS number of ChemDiv3_002446 is 450356-16-8.
What is the molecular formula of ChemDiv3_002446?
The molecular formula of ChemDiv3_002446 is C15H11FN2O3S.
What is the molecular weight of ChemDiv3_002446?
The molecular weight of ChemDiv3_002446 is 318.05 g/mol.
Where can I buy ChemDiv3_002446?
You can request a quote for ChemDiv3_002446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002446?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.