BAS 00865171
TL;DR: BAS 00865171 (CAS 332045-22-4) is a chemical compound with molecular formula C26H24N2OS and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-phenylmethoxyphenyl)-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: BAS 00865171, F0192-0534, 2-(allylsulfanyl)-4-[4-(benzyloxy)phenyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, AE-848/11828136, 4-(4-phenylmethoxyphenyl)-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C26H24N2OS |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 6.35618 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.16095 |
| Heavy Atoms | 30 |
| Complexity | 1068.928 |
Chemical Identifiers
| CAS Number | 332045-22-4 |
|---|---|
| SMILES | C=CCSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4 |
Product Overview
BAS 00865171 (CAS 332045-22-4), with molecular formula C26H24N2OS and molecular weight 412.16 g/mol. IUPAC: 4-(4-phenylmethoxyphenyl)-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of BAS 00865171
Property Insights of BAS 00865171
The XLogP value of 6.35618 indicates that BAS 00865171 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, BAS 00865171 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00865171 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00865171?
The CAS number of BAS 00865171 is 332045-22-4.
What is the molecular formula of BAS 00865171?
The molecular formula of BAS 00865171 is C26H24N2OS.
What is the molecular weight of BAS 00865171?
The molecular weight of BAS 00865171 is 412.16 g/mol.
Where can I buy BAS 00865171?
You can request a quote for BAS 00865171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865171?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.