barnidipine
TL;DR: barnidipine (CAS 104713-75-9) is a chemical compound with molecular formula C27H29N3O6 and molecular weight 491.20563 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
Also Known As: barnidipine, J3.774.789K, 3-(1-Benzylpyrrolidin-3-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, (+)-(3\'S,4S)-1-Benzyl-3-pyrrolidinyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate, (+/-)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-(1-benzylpyrrolidin-3-yl) ester 5-methyl ester
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C27H29N3O6 |
| Molecular Weight | 491.20563 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.20563 Da |
| Heavy Atoms | 36 |
| 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 |
| InChIKey | VXMOONUMYLCFJD-UHFFFAOYSA-N |
Product Description
Applications: barnidipine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
barnidipine is a pharmaceutical intermediate identified by CAS number 104713-75-9 and the molecular formula C27H29N3O6 and a molecular weight of 491.21 g/mol. Synonyms include barnidipine and J3.774.789K.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of barnidipine
Property Insights of barnidipine
The XLogP value of 4.2 indicates that barnidipine 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. Following Lipinski's Rule of Five, barnidipine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of barnidipine?
The CAS number of barnidipine is 104713-75-9.
What is the molecular formula of barnidipine?
The molecular formula of barnidipine is C27H29N3O6.
What is the molecular weight of barnidipine?
The molecular weight of barnidipine is 491.20563 g/mol.
What are the applications of barnidipine?
barnidipine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy barnidipine?
You can request a quote for barnidipine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for barnidipine?
Yes, CoreyChem provides custom synthesis services for barnidipine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.