BAS 00911199
TL;DR: BAS 00911199 (CAS 444152-30-1) 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-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
Also Known As: BAS 00911199, 2-((3-Cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl)thio)-N-(2-methyl-5-nitrophenyl)acetamide, 2-[3-Cyano-4-(3,4-dimethoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(2-methyl-5-nitro-phenyl)-acetamide, 2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
| Molecular Formula | C29H24N4O5S |
|---|---|
| Molecular Weight | 540.15 g/mol |
| LogP | 6.2519 |
| Topological Polar Surface Area | 127.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 540.1467 |
| Heavy Atoms | 39 |
| Complexity | 1585.102 |
Chemical Identifiers
| CAS Number | 444152-30-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C#N |
Product Overview
BAS 00911199 (CAS 444152-30-1), with molecular formula C29H24N4O5S and molecular weight 540.15 g/mol. IUPAC: 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide.
Chemical Property Profile of BAS 00911199
Property Insights of BAS 00911199
The XLogP value of 6.2519 indicates that BAS 00911199 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 00911199. Following Lipinski's Rule of Five, BAS 00911199 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 00911199?
The CAS number of BAS 00911199 is 444152-30-1.
What is the molecular formula of BAS 00911199?
The molecular formula of BAS 00911199 is C29H24N4O5S.
What is the molecular weight of BAS 00911199?
The molecular weight of BAS 00911199 is 540.15 g/mol.
Where can I buy BAS 00911199?
You can request a quote for BAS 00911199 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00911199?
Yes, KEHONG BIO provides custom synthesis services for BAS 00911199 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.