BAS 00911235
TL;DR: BAS 00911235 (CAS 444152-40-3) is a chemical compound with molecular formula C27H18Cl3N3O2S and molecular weight 553.02 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-(2,4,6-trichlorophenyl)acetamide
Also Known As: BAS 00911235, 2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)-N-(2,4,6-trichlorophenyl)acetamide, 2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(2,4,6-trichloro-phenyl)-acetamide, 2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
| Molecular Formula | C27H18Cl3N3O2S |
|---|---|
| Molecular Weight | 553.02 g/mol |
| LogP | 7.98688 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 553.01855 |
| Heavy Atoms | 36 |
| Complexity | 1433.069 |
Chemical Identifiers
| CAS Number | 444152-40-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3Cl)Cl)Cl)C4=CC=CC=C4 |
Product Overview
BAS 00911235 (CAS 444152-40-3), with molecular formula C27H18Cl3N3O2S and molecular weight 553.02 g/mol. IUPAC: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide.
Chemical Property Profile of BAS 00911235
Property Insights of BAS 00911235
The XLogP value of 7.98688 indicates that BAS 00911235 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00911235. Following Lipinski's Rule of Five, BAS 00911235 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00911235?
The CAS number of BAS 00911235 is 444152-40-3.
What is the molecular formula of BAS 00911235?
The molecular formula of BAS 00911235 is C27H18Cl3N3O2S.
What is the molecular weight of BAS 00911235?
The molecular weight of BAS 00911235 is 553.02 g/mol.
Where can I buy BAS 00911235?
You can request a quote for BAS 00911235 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00911235?
Yes, KEHONG BIO provides custom synthesis services for BAS 00911235 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.