(+)-a-Benidipine
TL;DR: (+)-a-Benidipine (CAS 119009-46-0) 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-[(3S)-1-benzylpiperidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Also Known As: (+)-a-Benidipine, (S,S)-Benidipine HCl, (+)-alfa-Benidipine HCl, (+)-alpha-Benidipine hydrochloride, (S,S)-Benidipine Hydrochloride
| Molecular Formula | C28H32ClN3O6 |
|---|---|
| Molecular Weight | 541.20 g/mol |
| LogP | 4.6322 |
| Topological Polar Surface Area | 111.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 541.19794 |
| Heavy Atoms | 38 |
| Complexity | 1260.2451 |
Chemical Identifiers
| CAS Number | 119009-46-0 |
|---|---|
| SMILES | CC1=C([C@@H](C(=C(N1)C)C(=O)O[C@H]2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl |
Product Overview
(+)-a-Benidipine (CAS 119009-46-0), with molecular formula C28H32ClN3O6 and molecular weight 541.20 g/mol. IUPAC: 5-O-[(3S)-1-benzylpiperidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride.
Chemical Property Profile of (+)-a-Benidipine
Property Insights of (+)-a-Benidipine
The XLogP value of 4.6322 indicates that (+)-a-Benidipine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-a-Benidipine. Following Lipinski's Rule of Five, (+)-a-Benidipine has 1 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 (+)-a-Benidipine?
The CAS number of (+)-a-Benidipine is 119009-46-0.
What is the molecular formula of (+)-a-Benidipine?
The molecular formula of (+)-a-Benidipine is C28H32ClN3O6.
What is the molecular weight of (+)-a-Benidipine?
The molecular weight of (+)-a-Benidipine is 541.20 g/mol.
Where can I buy (+)-a-Benidipine?
You can request a quote for (+)-a-Benidipine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-a-Benidipine?
Yes, KEHONG BIO provides custom synthesis services for (+)-a-Benidipine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.