Androst-4-ene-3 beta,17 beta-diol dienanthate
TL;DR: Androst-4-ene-3 beta,17 beta-diol dienanthate (CAS 85896-62-4) is a chemical compound with molecular formula C33H54O4 and molecular weight 514.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10R,13S,14S,17S)-17-heptanoyloxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] heptanoate
Also Known As: ADDEA, Androst-4-ene-3beta,17beta-diol dienanthate, Androst-4-ene-3,17-diyl diheptanoate, androst-4-ene-3, A,17
| Molecular Formula | C33H54O4 |
|---|---|
| Molecular Weight | 514.40 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 514.4022 |
| Heavy Atoms | 37 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 85896-62-4 |
|---|---|
| SMILES | CCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4OC(=O)CCCCCC)C)C |
| InChIKey | HRJJFVJCPGNUMA-HFETUNNBSA-N |
Product Overview
Androst-4-ene-3 beta,17 beta-diol dienanthate (CAS 85896-62-4), with molecular formula C33H54O4 and molecular weight 514.40 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S,17S)-17-heptanoyloxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] heptanoate.
Chemical Property Profile of Androst-4-ene-3 beta,17 beta-diol dienanthate
Property Insights of Androst-4-ene-3 beta,17 beta-diol dienanthate
The XLogP value of 9.5 indicates that Androst-4-ene-3 beta,17 beta-diol dienanthate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Androst-4-ene-3 beta,17 beta-diol dienanthate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Androst-4-ene-3 beta,17 beta-diol dienanthate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Androst-4-ene-3 beta,17 beta-diol dienanthate?
The CAS number of Androst-4-ene-3 beta,17 beta-diol dienanthate is 85896-62-4.
What is the molecular formula of Androst-4-ene-3 beta,17 beta-diol dienanthate?
The molecular formula of Androst-4-ene-3 beta,17 beta-diol dienanthate is C33H54O4.
What is the molecular weight of Androst-4-ene-3 beta,17 beta-diol dienanthate?
The molecular weight of Androst-4-ene-3 beta,17 beta-diol dienanthate is 514.40 g/mol.
Where can I buy Androst-4-ene-3 beta,17 beta-diol dienanthate?
You can request a quote for Androst-4-ene-3 beta,17 beta-diol dienanthate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Androst-4-ene-3 beta,17 beta-diol dienanthate?
Yes, KEHONG BIO provides custom synthesis services for Androst-4-ene-3 beta,17 beta-diol dienanthate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.