BAS 12414598
TL;DR: BAS 12414598 (CAS 847467-70-3) is a chemical compound with molecular formula C12H14F3N5S and molecular weight 317.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
Also Known As: BAS 12414598, AN-465/42834606, [2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-ethyl]-(2-trifluoromethyl-benzyl)-amine, 2-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine, 2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]-N-[2-(trifluoromethyl)benzyl]ethanamine
| Molecular Formula | C12H14F3N5S |
|---|---|
| Molecular Weight | 317.09 g/mol |
| LogP | 2.1108 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.0922 |
| Heavy Atoms | 21 |
| Complexity | 584.267 |
Chemical Identifiers
| CAS Number | 847467-70-3 |
|---|---|
| SMILES | CN1C(=NN=N1)SCCNCC2=CC=CC=C2C(F)(F)F |
Product Overview
BAS 12414598 (CAS 847467-70-3), with molecular formula C12H14F3N5S and molecular weight 317.09 g/mol. IUPAC: 2-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.
Chemical Property Profile of BAS 12414598
Property Insights of BAS 12414598
The XLogP value of 2.1108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12414598. With a topological polar surface area (TPSA) of 55.63 Ų, BAS 12414598 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 12414598 has 1 hydrogen bond donor(s) and 5 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 12414598?
The CAS number of BAS 12414598 is 847467-70-3.
What is the molecular formula of BAS 12414598?
The molecular formula of BAS 12414598 is C12H14F3N5S.
What is the molecular weight of BAS 12414598?
The molecular weight of BAS 12414598 is 317.09 g/mol.
Where can I buy BAS 12414598?
You can request a quote for BAS 12414598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12414598?
Yes, KEHONG BIO provides custom synthesis services for BAS 12414598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.