17-ethynylestra-1,3,5(10)-triene-3,11,17-triol
TL;DR: 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol (CAS 3762-05-8) is a chemical compound with molecular formula C20H24O3 and molecular weight 312.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,11,17-triol
Also Known As: 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol, 19-Norpregna-1(10),2,4-trien-20-yne-3,11,17-triol, 17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,11,17-triol
| Molecular Formula | C20H24O3 |
|---|---|
| Molecular Weight | 312.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.17255 |
| Heavy Atoms | 23 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 3762-05-8 |
|---|---|
| SMILES | CC12CC(C3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O)O |
| InChIKey | RDUNBMAAHIFRCA-UHFFFAOYSA-N |
Product Overview
17-ethynylestra-1,3,5(10)-triene-3,11,17-triol (CAS 3762-05-8), with molecular formula C20H24O3 and molecular weight 312.17 g/mol. IUPAC: 17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,11,17-triol.
Chemical Property Profile of 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol
Property Insights of 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol. Following Lipinski's Rule of Five, 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol 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 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol?
The CAS number of 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol is 3762-05-8.
What is the molecular formula of 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol?
The molecular formula of 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol is C20H24O3.
What is the molecular weight of 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol?
The molecular weight of 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol is 312.17 g/mol.
Where can I buy 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol?
You can request a quote for 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol?
Yes, KEHONG BIO provides custom synthesis services for 17-ethynylestra-1,3,5(10)-triene-3,11,17-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.