ChemDiv1_005910
TL;DR: ChemDiv1_005910 (CAS 328030-51-9) is a chemical compound with molecular formula C28H22N4O4S and molecular weight 510.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-6-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-N-(2-methylphenyl)-4-pyridin-3-ylpyridine-3-carboxamide
Also Known As: ChemDiv1_005910, BAS 01369617, 5'-CYANO-6'-{[2-(3,4-DIHYDROXYPHENYL)-2-OXOETHYL]SULFANYL}-2'-METHYL-N-(2-METHYLPHENYL)-[3,4'-BIPYRIDINE]-3'-CARBOXAMIDE, F0894-0068, A2479/0105317
| Molecular Formula | C28H22N4O4S |
|---|---|
| Molecular Weight | 510.14 g/mol |
| LogP | 5.27062 |
| Topological Polar Surface Area | 136.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 510.13617 |
| Heavy Atoms | 37 |
| Complexity | 1548.305 |
Chemical Identifiers
| CAS Number | 328030-51-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CN=CC=C3)C#N)SCC(=O)C4=CC(=C(C=C4)O)O)C |
Product Overview
ChemDiv1_005910 (CAS 328030-51-9), with molecular formula C28H22N4O4S and molecular weight 510.14 g/mol. IUPAC: 5-cyano-6-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-N-(2-methylphenyl)-4-pyridin-3-ylpyridine-3-carboxamide.
Chemical Property Profile of ChemDiv1_005910
Property Insights of ChemDiv1_005910
The XLogP value of 5.27062 indicates that ChemDiv1_005910 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005910. Following Lipinski's Rule of Five, ChemDiv1_005910 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005910?
The CAS number of ChemDiv1_005910 is 328030-51-9.
What is the molecular formula of ChemDiv1_005910?
The molecular formula of ChemDiv1_005910 is C28H22N4O4S.
What is the molecular weight of ChemDiv1_005910?
The molecular weight of ChemDiv1_005910 is 510.14 g/mol.
Where can I buy ChemDiv1_005910?
You can request a quote for ChemDiv1_005910 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005910?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005910 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.