巴尼地平
TL;DR: 巴尼地平 (CAS 104713-75-9) is a chemical compound with molecular formula C27H29N3O6 and molecular weight 491.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
巴尼地平
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
| Molecular Formula | C27H29N3O6 |
|---|---|
| Molecular Weight | 491.21 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.20563 |
| Heavy Atoms | 36 |
| Complexity | 917.0 |
Chemical Identifiers
| CAS Number | 104713-75-9 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
巴尼地平 (CAS 104713-75-9), with molecular formula C27H29N3O6 and molecular weight 491.21 g/mol. IUPAC: 5-O-(1-benzylpyrrolidin-3-yl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 巴尼地平
Property Insights of 巴尼地平
The XLogP value of 4.2 indicates that 巴尼地平 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 巴尼地平. Following Lipinski's Rule of Five, 巴尼地平 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
Frequently Asked Questions
What is the CAS number of 巴尼地平?
The CAS number of 巴尼地平 is 104713-75-9.
What is the molecular formula of 巴尼地平?
The molecular formula of 巴尼地平 is C27H29N3O6.
What is the molecular weight of 巴尼地平?
The molecular weight of 巴尼地平 is 491.21 g/mol.
Where can I buy 巴尼地平?
You can request a quote for 巴尼地平 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 巴尼地平?
Yes, KEHONG BIO provides custom synthesis services for 巴尼地平 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.