Stigmast-5-en-3-yl phenylcarbamate
TL;DR: Stigmast-5-en-3-yl phenylcarbamate (CAS 67978-97-6) is a chemical compound with molecular formula C36H55NO2 and molecular weight 533.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-phenylcarbamate
Also Known As: Stigmast-5-en-3-yl phenylcarbamate, [17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-phenylcarbamate, [17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-phenylcarbamate
| Molecular Formula | C36H55NO2 |
|---|---|
| Molecular Weight | 533.42 g/mol |
| LogP | 11.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 533.4233 |
| Heavy Atoms | 39 |
| Complexity | 873.0 |
Chemical Identifiers
| CAS Number | 67978-97-6 |
|---|---|
| SMILES | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NC5=CC=CC=C5)C)C)C(C)C |
| InChIKey | CVLUIVVMOADGAB-UHFFFAOYSA-N |
Product Overview
Stigmast-5-en-3-yl phenylcarbamate (CAS 67978-97-6), with molecular formula C36H55NO2 and molecular weight 533.42 g/mol. IUPAC: [17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-phenylcarbamate.
Chemical Property Profile of Stigmast-5-en-3-yl phenylcarbamate
Property Insights of Stigmast-5-en-3-yl phenylcarbamate
The XLogP value of 11.3 indicates that Stigmast-5-en-3-yl phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Stigmast-5-en-3-yl phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Stigmast-5-en-3-yl phenylcarbamate 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 Stigmast-5-en-3-yl phenylcarbamate?
The CAS number of Stigmast-5-en-3-yl phenylcarbamate is 67978-97-6.
What is the molecular formula of Stigmast-5-en-3-yl phenylcarbamate?
The molecular formula of Stigmast-5-en-3-yl phenylcarbamate is C36H55NO2.
What is the molecular weight of Stigmast-5-en-3-yl phenylcarbamate?
The molecular weight of Stigmast-5-en-3-yl phenylcarbamate is 533.42 g/mol.
Where can I buy Stigmast-5-en-3-yl phenylcarbamate?
You can request a quote for Stigmast-5-en-3-yl phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stigmast-5-en-3-yl phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Stigmast-5-en-3-yl phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.