BAS 09587902
TL;DR: BAS 09587902 (CAS 443325-98-2) is a chemical compound with molecular formula C21H24ClNO6 and molecular weight 421.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-cyclopentyl-4H-pyridine-3,5-dicarboxylate
Also Known As: BAS 09587902, A3157/0133531, dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-cyclopentyl-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-DIMETHYL 4-(3-CHLORO-4-HYDROXY-5-METHOXYPHENYL)-1-CYCLOPENTYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE, 3,5-DIMETHYL 4-(3-CHLORO-4-HYDROXY-5-METHOXYPHENYL)-1-CYCLOPENTYL-4H-PYRIDINE-3,5-DICARBOXYLATE
| Molecular Formula | C21H24ClNO6 |
|---|---|
| Molecular Weight | 421.13 g/mol |
| LogP | 3.5098 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.1292 |
| Heavy Atoms | 29 |
| Complexity | 838.1674 |
Chemical Identifiers
| CAS Number | 443325-98-2 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)C3CCCC3)C(=O)OC)Cl)O |
Product Overview
BAS 09587902 (CAS 443325-98-2), with molecular formula C21H24ClNO6 and molecular weight 421.13 g/mol. IUPAC: dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-cyclopentyl-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of BAS 09587902
Property Insights of BAS 09587902
The XLogP value of 3.5098 indicates that BAS 09587902 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09587902. Following Lipinski's Rule of Five, BAS 09587902 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 09587902?
The CAS number of BAS 09587902 is 443325-98-2.
What is the molecular formula of BAS 09587902?
The molecular formula of BAS 09587902 is C21H24ClNO6.
What is the molecular weight of BAS 09587902?
The molecular weight of BAS 09587902 is 421.13 g/mol.
Where can I buy BAS 09587902?
You can request a quote for BAS 09587902 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09587902?
Yes, KEHONG BIO provides custom synthesis services for BAS 09587902 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.