BAS 12414429
TL;DR: BAS 12414429 (CAS 847467-53-2) is a chemical compound with molecular formula C15H16FN5OS and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
Also Known As: BAS 12414429, AN-153/43310922, N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine, N-{[5-(2-fluorophenyl)furan-2-yl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine, {[5-(2-FLUOROPHENYL)FURAN-2-YL]METHYL}({2-[(1-METHYL-1H-1,2,3,4-TETRAZOL-5-YL)SULFANYL]ETHYL})AMINE
| Molecular Formula | C15H16FN5OS |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 2.4911 |
| Topological Polar Surface Area | 68.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.10596 |
| Heavy Atoms | 23 |
| Complexity | 772.5803 |
Chemical Identifiers
| CAS Number | 847467-53-2 |
|---|---|
| SMILES | CN1C(=NN=N1)SCCNCC2=CC=C(O2)C3=CC=CC=C3F |
Product Overview
BAS 12414429 (CAS 847467-53-2), with molecular formula C15H16FN5OS and molecular weight 333.11 g/mol. IUPAC: N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine.
Chemical Property Profile of BAS 12414429
Property Insights of BAS 12414429
The XLogP value of 2.4911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12414429. The TPSA of 68.77 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12414429. Following Lipinski's Rule of Five, BAS 12414429 has 1 hydrogen bond donor(s) and 6 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 BAS 12414429?
The CAS number of BAS 12414429 is 847467-53-2.
What is the molecular formula of BAS 12414429?
The molecular formula of BAS 12414429 is C15H16FN5OS.
What is the molecular weight of BAS 12414429?
The molecular weight of BAS 12414429 is 333.11 g/mol.
Where can I buy BAS 12414429?
You can request a quote for BAS 12414429 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12414429?
Yes, KEHONG BIO provides custom synthesis services for BAS 12414429 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.