KW 3049
TL;DR: KW 3049 (CAS 97521-28-3) is a chemical compound with molecular formula C28H32ClN3O6 and molecular weight 541.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-(1-benzylpiperidin-3-yl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Also Known As: benidipine hydrochloride, BENIDIPINE HCl, Benidipine, Coniel, Benidipine Impurity 3
| Molecular Formula | C28H32ClN3O6 |
|---|---|
| Molecular Weight | 541.20 g/mol |
| LogP | 4.6322 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 541.19794 |
| Heavy Atoms | 38 |
| Complexity | 933.0 |
Chemical Identifiers
| CAS Number | 97521-28-3 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl |
| InChIKey | KILKDKRQBYMKQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KW 3049 (CAS 97521-28-3), with molecular formula C28H32ClN3O6 and molecular weight 541.20 g/mol. IUPAC: 5-O-(1-benzylpiperidin-3-yl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride.
Chemical Property Profile of KW 3049
Property Insights of KW 3049
The XLogP value of 4.6322 indicates that KW 3049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KW 3049. Following Lipinski's Rule of Five, KW 3049 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KW 3049?
The CAS number of KW 3049 is 97521-28-3.
What is the molecular formula of KW 3049?
The molecular formula of KW 3049 is C28H32ClN3O6.
What is the molecular weight of KW 3049?
The molecular weight of KW 3049 is 541.20 g/mol.
Where can I buy KW 3049?
You can request a quote for KW 3049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KW 3049?
Yes, KEHONG BIO provides custom synthesis services for KW 3049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.