BAS 00635177
TL;DR: BAS 00635177 (CAS 312758-10-4) is a chemical compound with molecular formula C28H21BrN2O3S and molecular weight 544.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
Also Known As: BAS 00635177, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile, 4,6-bis(4-methoxyphenyl)-2-[2-(4-bromophenyl)-2-oxoethylthio]pyridine-3-carbon itrile
| Molecular Formula | C28H21BrN2O3S |
|---|---|
| Molecular Weight | 544.05 g/mol |
| LogP | 7.04198 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 544.04565 |
| Heavy Atoms | 35 |
| Complexity | 1380.379 |
Chemical Identifiers
| CAS Number | 312758-10-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC |
Product Overview
BAS 00635177 (CAS 312758-10-4), with molecular formula C28H21BrN2O3S and molecular weight 544.05 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile.
Chemical Property Profile of BAS 00635177
Property Insights of BAS 00635177
The XLogP value of 7.04198 indicates that BAS 00635177 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00635177. Following Lipinski's Rule of Five, BAS 00635177 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 00635177?
The CAS number of BAS 00635177 is 312758-10-4.
What is the molecular formula of BAS 00635177?
The molecular formula of BAS 00635177 is C28H21BrN2O3S.
What is the molecular weight of BAS 00635177?
The molecular weight of BAS 00635177 is 544.05 g/mol.
Where can I buy BAS 00635177?
You can request a quote for BAS 00635177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00635177?
Yes, KEHONG BIO provides custom synthesis services for BAS 00635177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.