BAS 01290731
TL;DR: BAS 01290731 (CAS 337489-29-9) is a chemical compound with molecular formula C27H19ClN4O3S and molecular weight 514.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
Also Known As: BAS 01290731, 2-((4-(4-Chlorophenyl)-3-cyano-6-phenylpyridin-2-yl)thio)-N-(2-methyl-5-nitrophenyl)acetamide, 2-[4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-N-(2-methyl-5-nitro-phenyl)-acetamide, 2-[4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
| Molecular Formula | C27H19ClN4O3S |
|---|---|
| Molecular Weight | 514.09 g/mol |
| LogP | 6.8881 |
| Topological Polar Surface Area | 108.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.0866 |
| Heavy Atoms | 36 |
| Complexity | 1485.8801 |
Chemical Identifiers
| CAS Number | 337489-29-9 |
|---|---|
| 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)Cl)C#N |
Product Overview
BAS 01290731 (CAS 337489-29-9), with molecular formula C27H19ClN4O3S and molecular weight 514.09 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide.
Chemical Property Profile of BAS 01290731
Property Insights of BAS 01290731
The XLogP value of 6.8881 indicates that BAS 01290731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01290731. Following Lipinski's Rule of Five, BAS 01290731 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01290731?
The CAS number of BAS 01290731 is 337489-29-9.
What is the molecular formula of BAS 01290731?
The molecular formula of BAS 01290731 is C27H19ClN4O3S.
What is the molecular weight of BAS 01290731?
The molecular weight of BAS 01290731 is 514.09 g/mol.
Where can I buy BAS 01290731?
You can request a quote for BAS 01290731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01290731?
Yes, KEHONG BIO provides custom synthesis services for BAS 01290731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.