17-Allylestra-1,3,5(10)-triene-3,17beta-diol
TL;DR: 17-Allylestra-1,3,5(10)-triene-3,17beta-diol (CAS 971-82-4) is a chemical compound with molecular formula C21H28O2 and molecular weight 312.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17R)-13-methyl-17-prop-2-enyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: 17alpha-allylestradiol, 17-Allylestra-1,3,5(10)-triene-3,17beta-diol, 17-(2-Propenyl)-17beta-estradiol, 17-Allylestra-1(10),2,4-triene-3,17beta-diol, (8R,9S,13S,14S,17R)-13-methyl-17-prop-2-enyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
| Molecular Formula | C21H28O2 |
|---|---|
| Molecular Weight | 312.21 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.20892 |
| Heavy Atoms | 23 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 971-82-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC=C)O)CCC4=C3C=CC(=C4)O |
| InChIKey | XEKBJRSLNPZRAN-MJCUULBUSA-N |
Product Overview
17-Allylestra-1,3,5(10)-triene-3,17beta-diol (CAS 971-82-4), with molecular formula C21H28O2 and molecular weight 312.21 g/mol. IUPAC: (8R,9S,13S,14S,17R)-13-methyl-17-prop-2-enyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 17-Allylestra-1,3,5(10)-triene-3,17beta-diol
Property Insights of 17-Allylestra-1,3,5(10)-triene-3,17beta-diol
The XLogP value of 4.9 indicates that 17-Allylestra-1,3,5(10)-triene-3,17beta-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 17-Allylestra-1,3,5(10)-triene-3,17beta-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Allylestra-1,3,5(10)-triene-3,17beta-diol has 2 hydrogen bond donor(s) and 2 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 17-Allylestra-1,3,5(10)-triene-3,17beta-diol?
The CAS number of 17-Allylestra-1,3,5(10)-triene-3,17beta-diol is 971-82-4.
What is the molecular formula of 17-Allylestra-1,3,5(10)-triene-3,17beta-diol?
The molecular formula of 17-Allylestra-1,3,5(10)-triene-3,17beta-diol is C21H28O2.
What is the molecular weight of 17-Allylestra-1,3,5(10)-triene-3,17beta-diol?
The molecular weight of 17-Allylestra-1,3,5(10)-triene-3,17beta-diol is 312.21 g/mol.
Where can I buy 17-Allylestra-1,3,5(10)-triene-3,17beta-diol?
You can request a quote for 17-Allylestra-1,3,5(10)-triene-3,17beta-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Allylestra-1,3,5(10)-triene-3,17beta-diol?
Yes, KEHONG BIO provides custom synthesis services for 17-Allylestra-1,3,5(10)-triene-3,17beta-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.