17alpha-Ethynyl-4,6beta-ethanoestradiol
TL;DR: 17alpha-Ethynyl-4,6beta-ethanoestradiol (CAS 62842-09-5) is a chemical compound with molecular formula C22H26O2 and molecular weight 322.19327 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-ethynyl-5-methylpentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-1(19),15,17-triene-6,16-diol
Also Known As: 17alpha-Ethynyl-4,6beta-ethanoestradiol, 6-ethynyl-5-methylpentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-1(19),15,17-triene-6,16-diol, 3-Ethynyl-3a-methyl-2,3,3a,4,5,5a,9,10,10a,11,11a,11b-dodecahydro-1H-cyclopenta[j]acephenanthrylene-3,8-diol, 5'H-Cyclopenta(4,5,6)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol, 4',6-dihydro-, (6alpha,17alpha)-
Technical Specifications
| Molecular Formula | C22H26O2 |
| Molecular Weight | 322.19327 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.19327 Da |
| Heavy Atoms | 24 |
| Complexity | 590.0 |
| SMILES | CC12CCC3C(C1CCC2(C#C)O)CC4CCC5=C(C=CC3=C45)O |
| InChIKey | VMALNTHDTSFPDO-UHFFFAOYSA-N |
Chemical Property Profile of 17alpha-Ethynyl-4,6beta-ethanoestradiol
Property Insights of 17alpha-Ethynyl-4,6beta-ethanoestradiol
The XLogP value of 4.0 indicates that 17alpha-Ethynyl-4,6beta-ethanoestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 17alpha-Ethynyl-4,6beta-ethanoestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17alpha-Ethynyl-4,6beta-ethanoestradiol 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
What is the CAS number of 17alpha-Ethynyl-4,6beta-ethanoestradiol?
The CAS number of 17alpha-Ethynyl-4,6beta-ethanoestradiol is 62842-09-5.
What is the molecular formula of 17alpha-Ethynyl-4,6beta-ethanoestradiol?
The molecular formula of 17alpha-Ethynyl-4,6beta-ethanoestradiol is C22H26O2.
What is the molecular weight of 17alpha-Ethynyl-4,6beta-ethanoestradiol?
The molecular weight of 17alpha-Ethynyl-4,6beta-ethanoestradiol is 322.19327 g/mol.
Where can I buy 17alpha-Ethynyl-4,6beta-ethanoestradiol?
You can request a quote for 17alpha-Ethynyl-4,6beta-ethanoestradiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 17alpha-Ethynyl-4,6beta-ethanoestradiol?
Yes, CoreyChem provides custom synthesis services for 17alpha-Ethynyl-4,6beta-ethanoestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.