BAS 01213336
TL;DR: BAS 01213336 (CAS 332162-69-3) is a chemical compound with molecular formula C29H24N4O5S and molecular weight 540.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(4-ethoxy-3-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: BAS 01213336, 2-((3-Cyano-4-(4-ethoxy-3-methoxyphenyl)-6-phenylpyridin-2-yl)thio)-N-(4-nitrophenyl)acetamide, 2-[3-Cyano-4-(4-ethoxy-3-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide, 2-[3-cyano-4-(4-ethoxy-3-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide
| Molecular Formula | C29H24N4O5S |
|---|---|
| Molecular Weight | 540.15 g/mol |
| LogP | 6.33358 |
| Topological Polar Surface Area | 127.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 540.1467 |
| Heavy Atoms | 39 |
| Complexity | 1536.3057 |
Chemical Identifiers
| CAS Number | 332162-69-3 |
|---|---|
| SMILES | CCOC1=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 01213336 (CAS 332162-69-3), with molecular formula C29H24N4O5S and molecular weight 540.15 g/mol. IUPAC: 2-[[3-cyano-4-(4-ethoxy-3-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of BAS 01213336
Property Insights of BAS 01213336
The XLogP value of 6.33358 indicates that BAS 01213336 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 01213336. Following Lipinski's Rule of Five, BAS 01213336 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 01213336?
The CAS number of BAS 01213336 is 332162-69-3.
What is the molecular formula of BAS 01213336?
The molecular formula of BAS 01213336 is C29H24N4O5S.
What is the molecular weight of BAS 01213336?
The molecular weight of BAS 01213336 is 540.15 g/mol.
Where can I buy BAS 01213336?
You can request a quote for BAS 01213336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01213336?
Yes, KEHONG BIO provides custom synthesis services for BAS 01213336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.