BAS 01054176
TL;DR: BAS 01054176 (CAS 334497-74-4) is a chemical compound with molecular formula C27H20ClN3O2S and molecular weight 485.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]acetamide
Also Known As: BAS 01054176, N-(4-Chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetamide, N-(4-chlorophenyl)-2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetamide, N-(4-chlorophenyl)-2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl(2-pyridylthio)]acet amide, N-(4-chlorophenyl)-2-{[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl}acetamide
| Molecular Formula | C27H20ClN3O2S |
|---|---|
| Molecular Weight | 485.10 g/mol |
| LogP | 6.68008 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.09647 |
| Heavy Atoms | 34 |
| Complexity | 1335.6616 |
Chemical Identifiers
| CAS Number | 334497-74-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
Product Overview
BAS 01054176 (CAS 334497-74-4), with molecular formula C27H20ClN3O2S and molecular weight 485.10 g/mol. IUPAC: N-(4-chlorophenyl)-2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]acetamide.
Chemical Property Profile of BAS 01054176
Property Insights of BAS 01054176
The XLogP value of 6.68008 indicates that BAS 01054176 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 01054176. Following Lipinski's Rule of Five, BAS 01054176 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 01054176?
The CAS number of BAS 01054176 is 334497-74-4.
What is the molecular formula of BAS 01054176?
The molecular formula of BAS 01054176 is C27H20ClN3O2S.
What is the molecular weight of BAS 01054176?
The molecular weight of BAS 01054176 is 485.10 g/mol.
Where can I buy BAS 01054176?
You can request a quote for BAS 01054176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01054176?
Yes, KEHONG BIO provides custom synthesis services for BAS 01054176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.