22-Dihydrobrassicasterol acetate
TL;DR: 22-Dihydrobrassicasterol acetate (CAS 4651-52-9) is a chemical compound with molecular formula C30H50O2 and molecular weight 442.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-(5,6-dimethylheptan-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: Campesterol acetate, 22-Dihydrobrassicasterol acetate, Ergost-5-en-3-yl acetate, Ergost-5-en-3-ol, acetate, (3.beta.,24R)-, [17-(5,6-dimethylheptan-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 | C30H50O2 |
|---|---|
| Molecular Weight | 442.38 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.38107 |
| Heavy Atoms | 32 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 4651-52-9 |
|---|---|
| SMILES | CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C |
| InChIKey | JOBAYBRAHVTSSW-UHFFFAOYSA-N |
Product Overview
22-Dihydrobrassicasterol acetate (CAS 4651-52-9), with molecular formula C30H50O2 and molecular weight 442.38 g/mol. IUPAC: [17-(5,6-dimethylheptan-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-Dihydrobrassicasterol acetate
Property Insights of 22-Dihydrobrassicasterol acetate
The XLogP value of 9.4 indicates that 22-Dihydrobrassicasterol 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-Dihydrobrassicasterol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 22-Dihydrobrassicasterol 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-Dihydrobrassicasterol acetate?
The CAS number of 22-Dihydrobrassicasterol acetate is 4651-52-9.
What is the molecular formula of 22-Dihydrobrassicasterol acetate?
The molecular formula of 22-Dihydrobrassicasterol acetate is C30H50O2.
What is the molecular weight of 22-Dihydrobrassicasterol acetate?
The molecular weight of 22-Dihydrobrassicasterol acetate is 442.38 g/mol.
Where can I buy 22-Dihydrobrassicasterol acetate?
You can request a quote for 22-Dihydrobrassicasterol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 22-Dihydrobrassicasterol acetate?
Yes, KEHONG BIO provides custom synthesis services for 22-Dihydrobrassicasterol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.