BAS 12632796
TL;DR: BAS 12632796 (CAS 876668-40-5) is a chemical compound with molecular formula C23H19N3O2S2 and molecular weight 433.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methoxymethyl)-6-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylpyridine-3-carbonitrile
Also Known As: BAS 12632796, 4-(methoxymethyl)-6-methyl-2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}pyridine-3-carbonitrile, 4-(methoxymethyl)-6-methyl-2-((2-oxo-2-(10H-phenothiazin-10-yl)ethyl)thio)nicotinonitrile, 4-(methoxymethyl)-6-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylpyridine-3-carbonitrile
| Molecular Formula | C23H19N3O2S2 |
|---|---|
| Molecular Weight | 433.09 g/mol |
| LogP | 5.3297 |
| Topological Polar Surface Area | 66.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.09186 |
| Heavy Atoms | 30 |
| Complexity | 1111.9254 |
Chemical Identifiers
| CAS Number | 876668-40-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C#N)COC |
Product Overview
BAS 12632796 (CAS 876668-40-5), with molecular formula C23H19N3O2S2 and molecular weight 433.09 g/mol. IUPAC: 4-(methoxymethyl)-6-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylpyridine-3-carbonitrile.
Chemical Property Profile of BAS 12632796
Property Insights of BAS 12632796
The XLogP value of 5.3297 indicates that BAS 12632796 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12632796. Following Lipinski's Rule of Five, BAS 12632796 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 12632796?
The CAS number of BAS 12632796 is 876668-40-5.
What is the molecular formula of BAS 12632796?
The molecular formula of BAS 12632796 is C23H19N3O2S2.
What is the molecular weight of BAS 12632796?
The molecular weight of BAS 12632796 is 433.09 g/mol.
Where can I buy BAS 12632796?
You can request a quote for BAS 12632796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12632796?
Yes, KEHONG BIO provides custom synthesis services for BAS 12632796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.