去甲文拉法辛
TL;DR: 去甲文拉法辛 (CAS 93413-62-8) is a chemical compound with molecular formula C29H28N4O6 and molecular weight 528.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去甲文拉法辛
5-O-[(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: F 0401, F-0401, f04-01, 5-O-[(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, ((+-)-(E)-3-(4-(1-Imidazolyl)methylphenyl)-2-propen-1-yl)methyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
| Molecular Formula | C29H28N4O6 |
|---|---|
| Molecular Weight | 528.20 g/mol |
| LogP | 4.504 |
| Topological Polar Surface Area | 125.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 528.20087 |
| Heavy Atoms | 39 |
| Complexity | 1469.6514 |
Chemical Identifiers
| CAS Number | 93413-62-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/C2=CC=C(C=C2)CN3C=CN=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC |
Product Overview
去甲文拉法辛 (CAS 93413-62-8), with molecular formula C29H28N4O6 and molecular weight 528.20 g/mol. IUPAC: 5-O-[(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 去甲文拉法辛
Property Insights of 去甲文拉法辛
The XLogP value of 4.504 indicates that 去甲文拉法辛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 去甲文拉法辛. Following Lipinski's Rule of Five, 去甲文拉法辛 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 去甲文拉法辛?
The CAS number of 去甲文拉法辛 is 93413-62-8.
What is the molecular formula of 去甲文拉法辛?
The molecular formula of 去甲文拉法辛 is C29H28N4O6.
What is the molecular weight of 去甲文拉法辛?
The molecular weight of 去甲文拉法辛 is 528.20 g/mol.
Where can I buy 去甲文拉法辛?
You can request a quote for 去甲文拉法辛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去甲文拉法辛?
Yes, KEHONG BIO provides custom synthesis services for 去甲文拉法辛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.