BAS 12414617
TL;DR: BAS 12414617 (CAS 847467-77-0) is a chemical compound with molecular formula C15H16ClN5OS and molecular weight 349.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
Also Known As: BAS 12414617, AN-465/43336715, N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine, N-{[5-(4-chlorophenyl)furan-2-yl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine, {[5-(4-CHLOROPHENYL)FURAN-2-YL]METHYL}({2-[(1-METHYL-1H-1,2,3,4-TETRAZOL-5-YL)SULFANYL]ETHYL})AMINE
| Molecular Formula | C15H16ClN5OS |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 3.0054 |
| Topological Polar Surface Area | 68.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.07642 |
| Heavy Atoms | 23 |
| Complexity | 755.3303 |
Chemical Identifiers
| CAS Number | 847467-77-0 |
|---|---|
| SMILES | CN1C(=NN=N1)SCCNCC2=CC=C(O2)C3=CC=C(C=C3)Cl |
Product Overview
BAS 12414617 (CAS 847467-77-0), with molecular formula C15H16ClN5OS and molecular weight 349.08 g/mol. IUPAC: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine.
Chemical Property Profile of BAS 12414617
Property Insights of BAS 12414617
The XLogP value of 3.0054 indicates that BAS 12414617 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.77 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12414617. Following Lipinski's Rule of Five, BAS 12414617 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 12414617?
The CAS number of BAS 12414617 is 847467-77-0.
What is the molecular formula of BAS 12414617?
The molecular formula of BAS 12414617 is C15H16ClN5OS.
What is the molecular weight of BAS 12414617?
The molecular weight of BAS 12414617 is 349.08 g/mol.
Where can I buy BAS 12414617?
You can request a quote for BAS 12414617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12414617?
Yes, KEHONG BIO provides custom synthesis services for BAS 12414617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.