cholest-5-en-3-yl 4-isonicotinate
TL;DR: cholest-5-en-3-yl 4-isonicotinate (CAS 71437-80-4) is a chemical compound with molecular formula C33H49NO2 and molecular weight 491.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] pyridine-4-carboxylate
Also Known As: cholest-5-en-3-yl 4-isonicotinate, Cholest-5-en-3-yl pyridine-4-carboxylate, [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] pyridine-4-carboxylate
| Molecular Formula | C33H49NO2 |
|---|---|
| Molecular Weight | 491.38 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.37634 |
| Heavy Atoms | 36 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 71437-80-4 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=NC=C5)C)C |
| InChIKey | YSRULNAZMTVRCE-UHFFFAOYSA-N |
Product Overview
cholest-5-en-3-yl 4-isonicotinate (CAS 71437-80-4), with molecular formula C33H49NO2 and molecular weight 491.38 g/mol. IUPAC: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] pyridine-4-carboxylate.
Chemical Property Profile of cholest-5-en-3-yl 4-isonicotinate
Property Insights of cholest-5-en-3-yl 4-isonicotinate
The XLogP value of 9.7 indicates that cholest-5-en-3-yl 4-isonicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, cholest-5-en-3-yl 4-isonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cholest-5-en-3-yl 4-isonicotinate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of cholest-5-en-3-yl 4-isonicotinate?
The CAS number of cholest-5-en-3-yl 4-isonicotinate is 71437-80-4.
What is the molecular formula of cholest-5-en-3-yl 4-isonicotinate?
The molecular formula of cholest-5-en-3-yl 4-isonicotinate is C33H49NO2.
What is the molecular weight of cholest-5-en-3-yl 4-isonicotinate?
The molecular weight of cholest-5-en-3-yl 4-isonicotinate is 491.38 g/mol.
Where can I buy cholest-5-en-3-yl 4-isonicotinate?
You can request a quote for cholest-5-en-3-yl 4-isonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cholest-5-en-3-yl 4-isonicotinate?
Yes, KEHONG BIO provides custom synthesis services for cholest-5-en-3-yl 4-isonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.