BAS 01118122
TL;DR: BAS 01118122 (CAS 332101-79-8) is a chemical compound with molecular formula C28H22N4O5S and molecular weight 526.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide
Also Known As: BAS 01118122, 2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)-N-(2-methoxy-4-nitrophenyl)acetamide, 2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(2-methoxy-4-nitro-phenyl)-acetamide, 2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
| Molecular Formula | C28H22N4O5S |
|---|---|
| Molecular Weight | 526.13 g/mol |
| LogP | 5.94348 |
| Topological Polar Surface Area | 127.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 526.1311 |
| Heavy Atoms | 38 |
| Complexity | 1519.2579 |
Chemical Identifiers
| CAS Number | 332101-79-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C4=CC=CC=C4 |
Product Overview
BAS 01118122 (CAS 332101-79-8), with molecular formula C28H22N4O5S and molecular weight 526.13 g/mol. IUPAC: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide.
Chemical Property Profile of BAS 01118122
Property Insights of BAS 01118122
The XLogP value of 5.94348 indicates that BAS 01118122 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.38 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01118122. Following Lipinski's Rule of Five, BAS 01118122 has 1 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 BAS 01118122?
The CAS number of BAS 01118122 is 332101-79-8.
What is the molecular formula of BAS 01118122?
The molecular formula of BAS 01118122 is C28H22N4O5S.
What is the molecular weight of BAS 01118122?
The molecular weight of BAS 01118122 is 526.13 g/mol.
Where can I buy BAS 01118122?
You can request a quote for BAS 01118122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01118122?
Yes, KEHONG BIO provides custom synthesis services for BAS 01118122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.