Cholesta-2,4-diene
TL;DR: Cholesta-2,4-diene (CAS 4117-50-4) is a chemical compound with molecular formula C27H44 and molecular weight 368.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
Also Known As: Cholesta-2,4-diene, Cholestadiene, 2,4-Cholestadiene, 1,4-cholestadien-3-one, Methyl 2-hydroxydodecanoate
| Molecular Formula | C27H44 |
|---|---|
| Molecular Weight | 368.34 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.3443 |
| Heavy Atoms | 27 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 4117-50-4 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC=CC[C@]34C)C |
| InChIKey | BDJOURVDARTIRJ-HKQCOZBKSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholesta-2,4-diene (CAS 4117-50-4), with molecular formula C27H44 and molecular weight 368.34 g/mol. IUPAC: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene.
Chemical Property Profile of Cholesta-2,4-diene
Property Insights of Cholesta-2,4-diene
The XLogP value of 9.8 indicates that Cholesta-2,4-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Cholesta-2,4-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesta-2,4-diene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholesta-2,4-diene?
The CAS number of Cholesta-2,4-diene is 4117-50-4.
What is the molecular formula of Cholesta-2,4-diene?
The molecular formula of Cholesta-2,4-diene is C27H44.
What is the molecular weight of Cholesta-2,4-diene?
The molecular weight of Cholesta-2,4-diene is 368.34 g/mol.
Where can I buy Cholesta-2,4-diene?
You can request a quote for Cholesta-2,4-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesta-2,4-diene?
Yes, KEHONG BIO provides custom synthesis services for Cholesta-2,4-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.