3-beta,21-Dihydroxypregn-5-en-20-one di(acetate)
TL;DR: 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate) (CAS 1693-63-6) is a chemical compound with molecular formula C25H36O5 and molecular weight 416.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: 3,21-DAXPG-20, A,21-diacetoxy-5-pregnen-20-one, 3beta,21-Diacetoxy-5-pregnen-20-one, 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate), 3beta,21-Bis(acetyloxy)pregn-5-en-20-one
| Molecular Formula | C25H36O5 |
|---|---|
| Molecular Weight | 416.26 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.2563 |
| Heavy Atoms | 30 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 1693-63-6 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C |
| InChIKey | UVOTXHBDYFWIBF-YLCICSEWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-beta,21-Dihydroxypregn-5-en-20-one di(acetate) (CAS 1693-63-6), with molecular formula C25H36O5 and molecular weight 416.26 g/mol. IUPAC: [2-[(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate)
Property Insights of 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate)
The XLogP value of 4.7 indicates that 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate). Following Lipinski's Rule of Five, 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate) has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate)?
The CAS number of 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate) is 1693-63-6.
What is the molecular formula of 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate)?
The molecular formula of 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate) is C25H36O5.
What is the molecular weight of 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate)?
The molecular weight of 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate) is 416.26 g/mol.
Where can I buy 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate)?
You can request a quote for 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate)?
Yes, KEHONG BIO provides custom synthesis services for 3-beta,21-Dihydroxypregn-5-en-20-one di(acetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.