3-cholesteryl N-butylcarbamate
TL;DR: 3-cholesteryl N-butylcarbamate (CAS 52829-26-2) is a chemical compound with molecular formula C32H55NO2 and molecular weight 485.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-butylcarbamate
Also Known As: 3-Cnbc, 3-Cholesteryl N-butylcarbamate, 3-cholesterylN-butylcarbamate, Cholest-5-en-3-ol (3beta)-, butylcarbamate, Cholest-5-en-3-yl hydrogen butylcarbonimidate
| Molecular Formula | C32H55NO2 |
|---|---|
| Molecular Weight | 485.42 g/mol |
| LogP | 8.9227 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.42328 |
| Heavy Atoms | 35 |
| Complexity | 758.6622 |
Chemical Identifiers
| CAS Number | 52829-26-2 |
|---|---|
| SMILES | CCCCNC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C |
Product Overview
3-cholesteryl N-butylcarbamate (CAS 52829-26-2), with molecular formula C32H55NO2 and molecular weight 485.42 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-butylcarbamate.
Chemical Property Profile of 3-cholesteryl N-butylcarbamate
Property Insights of 3-cholesteryl N-butylcarbamate
The XLogP value of 8.9227 indicates that 3-cholesteryl N-butylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 3-cholesteryl N-butylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-cholesteryl N-butylcarbamate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-cholesteryl N-butylcarbamate?
The CAS number of 3-cholesteryl N-butylcarbamate is 52829-26-2.
What is the molecular formula of 3-cholesteryl N-butylcarbamate?
The molecular formula of 3-cholesteryl N-butylcarbamate is C32H55NO2.
What is the molecular weight of 3-cholesteryl N-butylcarbamate?
The molecular weight of 3-cholesteryl N-butylcarbamate is 485.42 g/mol.
Where can I buy 3-cholesteryl N-butylcarbamate?
You can request a quote for 3-cholesteryl N-butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-cholesteryl N-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-cholesteryl N-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.