C12H15ClF3N5S
TL;DR: C12H15ClF3N5S (CAS 1049694-67-8) is a chemical compound with molecular formula C12H15ClF3N5S and molecular weight 353.07 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;hydrochloride
Also Known As: 2-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine Hydrochloride, 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(2-(trifluoromethyl)benzyl)ethanamine hydrochloride
| Molecular Formula | C12H15ClF3N5S |
|---|---|
| Molecular Weight | 353.07 g/mol |
| LogP | 2.5326 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.06888 |
| Heavy Atoms | 22 |
| Complexity | 590.13586 |
Chemical Identifiers
| CAS Number | 1049694-67-8 |
|---|---|
| SMILES | CN1C(=NN=N1)SCCNCC2=CC=CC=C2C(F)(F)F.Cl |
Product Overview
C12H15ClF3N5S (CAS 1049694-67-8), with molecular formula C12H15ClF3N5S and molecular weight 353.07 g/mol. IUPAC: 2-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;hydrochloride.
Chemical Property Profile of C12H15ClF3N5S
Property Insights of C12H15ClF3N5S
The XLogP value of 2.5326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H15ClF3N5S. With a topological polar surface area (TPSA) of 55.63 Ų, C12H15ClF3N5S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C12H15ClF3N5S 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 C12H15ClF3N5S?
The CAS number of C12H15ClF3N5S is 1049694-67-8.
What is the molecular formula of C12H15ClF3N5S?
The molecular formula of C12H15ClF3N5S is C12H15ClF3N5S.
What is the molecular weight of C12H15ClF3N5S?
The molecular weight of C12H15ClF3N5S is 353.07 g/mol.
Where can I buy C12H15ClF3N5S?
You can request a quote for C12H15ClF3N5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H15ClF3N5S?
Yes, KEHONG BIO provides custom synthesis services for C12H15ClF3N5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.