O-(Stigmast-5-en-3-yl) ethylcarbamothioate
TL;DR: O-(Stigmast-5-en-3-yl) ethylcarbamothioate (CAS 67978-99-8) is a chemical compound with molecular formula C32H55NOS and molecular weight 501.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[[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-ethylcarbamothioate
Also Known As: O-(Stigmast-5-en-3-yl) ethylcarbamothioate, O-[[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-ethylcarbamothioate
| Molecular Formula | C32H55NOS |
|---|---|
| Molecular Weight | 501.40 g/mol |
| LogP | 8.9435 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.40045 |
| Heavy Atoms | 35 |
| Complexity | 775.5249 |
Chemical Identifiers
| CAS Number | 67978-99-8 |
|---|---|
| SMILES | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=S)NCC)C)C)C(C)C |
Product Overview
O-(Stigmast-5-en-3-yl) ethylcarbamothioate (CAS 67978-99-8), with molecular formula C32H55NOS and molecular weight 501.40 g/mol. IUPAC: O-[[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-ethylcarbamothioate.
Chemical Property Profile of O-(Stigmast-5-en-3-yl) ethylcarbamothioate
Property Insights of O-(Stigmast-5-en-3-yl) ethylcarbamothioate
The XLogP value of 8.9435 indicates that O-(Stigmast-5-en-3-yl) ethylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, O-(Stigmast-5-en-3-yl) ethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(Stigmast-5-en-3-yl) ethylcarbamothioate 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 O-(Stigmast-5-en-3-yl) ethylcarbamothioate?
The CAS number of O-(Stigmast-5-en-3-yl) ethylcarbamothioate is 67978-99-8.
What is the molecular formula of O-(Stigmast-5-en-3-yl) ethylcarbamothioate?
The molecular formula of O-(Stigmast-5-en-3-yl) ethylcarbamothioate is C32H55NOS.
What is the molecular weight of O-(Stigmast-5-en-3-yl) ethylcarbamothioate?
The molecular weight of O-(Stigmast-5-en-3-yl) ethylcarbamothioate is 501.40 g/mol.
Where can I buy O-(Stigmast-5-en-3-yl) ethylcarbamothioate?
You can request a quote for O-(Stigmast-5-en-3-yl) ethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(Stigmast-5-en-3-yl) ethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(Stigmast-5-en-3-yl) ethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.