BAS 00801668
TL;DR: BAS 00801668 (CAS 332018-56-1) 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-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: BAS 00801668, 2-((3-Cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl)thio)-N-(4-nitrophenyl)acetamide, 2-[3-Cyano-4-(3,4-dimethoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide, 2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(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 | 332018-56-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)OC |
Product Overview
BAS 00801668 (CAS 332018-56-1), with molecular formula C28H22N4O5S and molecular weight 526.13 g/mol. IUPAC: 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of BAS 00801668
Property Insights of BAS 00801668
The XLogP value of 5.94348 indicates that BAS 00801668 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 00801668. Following Lipinski's Rule of Five, BAS 00801668 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 00801668?
The CAS number of BAS 00801668 is 332018-56-1.
What is the molecular formula of BAS 00801668?
The molecular formula of BAS 00801668 is C28H22N4O5S.
What is the molecular weight of BAS 00801668?
The molecular weight of BAS 00801668 is 526.13 g/mol.
Where can I buy BAS 00801668?
You can request a quote for BAS 00801668 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00801668?
Yes, KEHONG BIO provides custom synthesis services for BAS 00801668 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.