22,23-Dibromostigmast-5-en-3-yl acetate
TL;DR: 22,23-Dibromostigmast-5-en-3-yl acetate (CAS 50633-49-3) is a chemical compound with molecular formula C31H50Br2O2 and molecular weight 612.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-(3,4-dibromo-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] acetate
Also Known As: 22,23-Dibromostigmasterol acetate, STIGMASTERYL ACETATE DIBROMIDE, 22,23-Dibromostigmast-5-en-3-yl acetate, [17-(3,4-dibromo-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] acetate, [17-(3,4-dibromo-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] acetate
| Molecular Formula | C31H50Br2O2 |
|---|---|
| Molecular Weight | 612.22 g/mol |
| LogP | 10.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 612.2178 |
| Heavy Atoms | 35 |
| Complexity | 808.0 |
Chemical Identifiers
| CAS Number | 50633-49-3 |
|---|---|
| SMILES | CCC(C(C)C)C(C(C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)Br)Br |
| InChIKey | WPYNWAGYMPPHHC-UHFFFAOYSA-N |
Product Overview
22,23-Dibromostigmast-5-en-3-yl acetate (CAS 50633-49-3), with molecular formula C31H50Br2O2 and molecular weight 612.22 g/mol. IUPAC: [17-(3,4-dibromo-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] acetate.
Chemical Property Profile of 22,23-Dibromostigmast-5-en-3-yl acetate
Property Insights of 22,23-Dibromostigmast-5-en-3-yl acetate
The XLogP value of 10.3 indicates that 22,23-Dibromostigmast-5-en-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 22,23-Dibromostigmast-5-en-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 22,23-Dibromostigmast-5-en-3-yl acetate has 0 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 22,23-Dibromostigmast-5-en-3-yl acetate?
The CAS number of 22,23-Dibromostigmast-5-en-3-yl acetate is 50633-49-3.
What is the molecular formula of 22,23-Dibromostigmast-5-en-3-yl acetate?
The molecular formula of 22,23-Dibromostigmast-5-en-3-yl acetate is C31H50Br2O2.
What is the molecular weight of 22,23-Dibromostigmast-5-en-3-yl acetate?
The molecular weight of 22,23-Dibromostigmast-5-en-3-yl acetate is 612.22 g/mol.
Where can I buy 22,23-Dibromostigmast-5-en-3-yl acetate?
You can request a quote for 22,23-Dibromostigmast-5-en-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 22,23-Dibromostigmast-5-en-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 22,23-Dibromostigmast-5-en-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.