BAS 12414610
TL;DR: BAS 12414610 (CAS 880808-59-3) is a chemical compound with molecular formula C17H21N5OS and molecular weight 343.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-ethoxynaphthalen-1-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
Also Known As: BAS 12414610, AN-465/42834737, N-[(2-ethoxynaphthalen-1-yl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine, N-[(2-ethoxynaphthalen-1-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine, (2-Ethoxy-naphthalen-1-ylmethyl)-[2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-ethyl]-amine
| Molecular Formula | C17H21N5OS |
|---|---|
| Molecular Weight | 343.15 g/mol |
| LogP | 2.6439 |
| Topological Polar Surface Area | 64.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.14667 |
| Heavy Atoms | 24 |
| Complexity | 804.53015 |
Chemical Identifiers
| CAS Number | 880808-59-3 |
|---|---|
| SMILES | CCOC1=C(C2=CC=CC=C2C=C1)CNCCSC3=NN=NN3C |
Product Overview
BAS 12414610 (CAS 880808-59-3), with molecular formula C17H21N5OS and molecular weight 343.15 g/mol. IUPAC: N-[(2-ethoxynaphthalen-1-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine.
Chemical Property Profile of BAS 12414610
Property Insights of BAS 12414610
The XLogP value of 2.6439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12414610. The TPSA of 64.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12414610. Following Lipinski's Rule of Five, BAS 12414610 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 12414610?
The CAS number of BAS 12414610 is 880808-59-3.
What is the molecular formula of BAS 12414610?
The molecular formula of BAS 12414610 is C17H21N5OS.
What is the molecular weight of BAS 12414610?
The molecular weight of BAS 12414610 is 343.15 g/mol.
Where can I buy BAS 12414610?
You can request a quote for BAS 12414610 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12414610?
Yes, KEHONG BIO provides custom synthesis services for BAS 12414610 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.