BAS 01104296
TL;DR: BAS 01104296 (CAS 309278-49-7) is a chemical compound with molecular formula C21H19BrN2O2S2 and molecular weight 474.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[(4-bromophenyl)methylsulfanyl]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: BAS 01104296, AM-807/11282119, ethyl 6-((4-bromobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, ethyl 6-[(4-bromobenzyl)sulfanyl]-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate, ethyl 6-[(4-bromophenyl)methylsulfanyl]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C21H19BrN2O2S2 |
|---|---|
| Molecular Weight | 474.01 g/mol |
| LogP | 5.70308 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.00714 |
| Heavy Atoms | 28 |
| Complexity | 957.2919 |
Chemical Identifiers
| CAS Number | 309278-49-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC3=CC=C(C=C3)Br)C |
Product Overview
BAS 01104296 (CAS 309278-49-7), with molecular formula C21H19BrN2O2S2 and molecular weight 474.01 g/mol. IUPAC: ethyl 6-[(4-bromophenyl)methylsulfanyl]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of BAS 01104296
Property Insights of BAS 01104296
The XLogP value of 5.70308 indicates that BAS 01104296 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01104296. Following Lipinski's Rule of Five, BAS 01104296 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 01104296?
The CAS number of BAS 01104296 is 309278-49-7.
What is the molecular formula of BAS 01104296?
The molecular formula of BAS 01104296 is C21H19BrN2O2S2.
What is the molecular weight of BAS 01104296?
The molecular weight of BAS 01104296 is 474.01 g/mol.
Where can I buy BAS 01104296?
You can request a quote for BAS 01104296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01104296?
Yes, KEHONG BIO provides custom synthesis services for BAS 01104296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.