BAS 00865817
TL;DR: BAS 00865817 (CAS 328030-63-3) is a chemical compound with molecular formula C24H22N2O3S and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: BAS 00865817, BIM-0013752.P001, AE-848/11419250, 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C24H22N2O3S |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 5.3841 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.1351 |
| Heavy Atoms | 30 |
| Complexity | 1126.5881 |
Chemical Identifiers
| CAS Number | 328030-63-3 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=C(C(=NC3=C2CCCC3)SCC(=O)C4=CC=C(C=C4)OC)C#N |
Product Overview
BAS 00865817 (CAS 328030-63-3), with molecular formula C24H22N2O3S and molecular weight 418.14 g/mol. IUPAC: 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of BAS 00865817
Property Insights of BAS 00865817
The XLogP value of 5.3841 indicates that BAS 00865817 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865817. Following Lipinski's Rule of Five, BAS 00865817 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00865817?
The CAS number of BAS 00865817 is 328030-63-3.
What is the molecular formula of BAS 00865817?
The molecular formula of BAS 00865817 is C24H22N2O3S.
What is the molecular weight of BAS 00865817?
The molecular weight of BAS 00865817 is 418.14 g/mol.
Where can I buy BAS 00865817?
You can request a quote for BAS 00865817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865817?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.