BAS 00635196
TL;DR: BAS 00635196 (CAS 313550-90-2) is a chemical compound with molecular formula C28H24N2O2S and molecular weight 452.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile
Also Known As: BAS 00635196, 4,6-bis(4-methoxyphenyl)-2-[(2-methylbenzyl)sulfanyl]nicotinonitrile, 4,6-bis(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile, AE-848/08502007, 4,6-bis(4-methoxyphenyl)-2-((2-methylbenzyl)thio)nicotinonitrile
| Molecular Formula | C28H24N2O2S |
|---|---|
| Molecular Weight | 452.16 g/mol |
| LogP | 6.9052 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.15585 |
| Heavy Atoms | 33 |
| Complexity | 1293.2789 |
Chemical Identifiers
| CAS Number | 313550-90-2 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C#N |
Product Overview
BAS 00635196 (CAS 313550-90-2), with molecular formula C28H24N2O2S and molecular weight 452.16 g/mol. IUPAC: 4,6-bis(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile.
Chemical Property Profile of BAS 00635196
Property Insights of BAS 00635196
The XLogP value of 6.9052 indicates that BAS 00635196 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.14 Ų, BAS 00635196 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00635196 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00635196?
The CAS number of BAS 00635196 is 313550-90-2.
What is the molecular formula of BAS 00635196?
The molecular formula of BAS 00635196 is C28H24N2O2S.
What is the molecular weight of BAS 00635196?
The molecular weight of BAS 00635196 is 452.16 g/mol.
Where can I buy BAS 00635196?
You can request a quote for BAS 00635196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00635196?
Yes, KEHONG BIO provides custom synthesis services for BAS 00635196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.