Barnidipine-d4Hydrochloride
TL;DR: Barnidipine-d4Hydrochloride (CAS 117131-01-8) is a chemical compound with molecular formula C27H30ClN3O6 and molecular weight 527.1823 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-O-(1-benzylpyrrolidin-3-yl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Also Known As: barnidipine, Mepirodipine, barnidipine hydrochloride, Barnidipine HCl, Mepirodipine hydrochloride
Technical Specifications
| Molecular Formula | C27H30ClN3O6 |
| Molecular Weight | 527.1823 g/mol |
| XLogP | 4.2421 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.1823 Da |
| Heavy Atoms | 37 |
| Complexity | 917.0 |
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl |
| InChIKey | XEMPUKIZUCIZEY-UHFFFAOYSA-N |
Chemical Property Profile of Barnidipine-d4Hydrochloride
Property Insights of Barnidipine-d4Hydrochloride
The XLogP value of 4.2421 indicates that Barnidipine-d4Hydrochloride 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 Barnidipine-d4Hydrochloride. Following Lipinski's Rule of Five, Barnidipine-d4Hydrochloride has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Barnidipine-d4Hydrochloride?
The CAS number of Barnidipine-d4Hydrochloride is 117131-01-8.
What is the molecular formula of Barnidipine-d4Hydrochloride?
The molecular formula of Barnidipine-d4Hydrochloride is C27H30ClN3O6.
What is the molecular weight of Barnidipine-d4Hydrochloride?
The molecular weight of Barnidipine-d4Hydrochloride is 527.1823 g/mol.
Where can I buy Barnidipine-d4Hydrochloride?
You can request a quote for Barnidipine-d4Hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Barnidipine-d4Hydrochloride?
Yes, CoreyChem provides custom synthesis services for Barnidipine-d4Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.