Allylestriol
TL;DR: Allylestriol (CAS 26583-08-4) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,16R,17R)-13-methyl-17-prop-2-enyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol
Also Known As: Allylestriol, (8R,9S,13S,14S,16R,17R)-13-methyl-17-prop-2-enyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol, Estra-1,3,5(10)-triene-3,16,17-triol, 17-(2-propenyl)-, (16alpha,17beta)-, RefChem:110907
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 3.5263 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 669.0477 |
Chemical Identifiers
| CAS Number | 26583-08-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@]2(CC=C)O)O)CCC4=C3C=CC(=C4)O |
Product Overview
Allylestriol (CAS 26583-08-4), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: (8R,9S,13S,14S,16R,17R)-13-methyl-17-prop-2-enyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol.
Chemical Property Profile of Allylestriol
Property Insights of Allylestriol
The XLogP value of 3.5263 indicates that Allylestriol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for Allylestriol. Following Lipinski's Rule of Five, Allylestriol has 3 hydrogen bond donor(s) and 3 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 Allylestriol?
The CAS number of Allylestriol is 26583-08-4.
What is the molecular formula of Allylestriol?
The molecular formula of Allylestriol is C21H28O3.
What is the molecular weight of Allylestriol?
The molecular weight of Allylestriol is 328.20 g/mol.
Where can I buy Allylestriol?
You can request a quote for Allylestriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allylestriol?
Yes, KEHONG BIO provides custom synthesis services for Allylestriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.