1,11-Ethanoestradiol
TL;DR: 1,11-Ethanoestradiol (CAS 126559-87-3) is a chemical compound with molecular formula C20H26O2 and molecular weight 298.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylpentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-11(19),12,14-triene-5,13-diol
Also Known As: 1,11-Ethanoestradiol, 1,11beta-Ethanoestradiol, 1,11 beta-ethanoestradiol, 6a-methyl-5,5a,6,6a,7,8,9,9a,9b,10,11,11c-dodecahydro-4h-cyclopenta[a]pyrene-2,7-diol, 6-methylpentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-11(19),12,14-triene-5,13-diol
| Molecular Formula | C20H26O2 |
|---|---|
| Molecular Weight | 298.19 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.19327 |
| Heavy Atoms | 22 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 126559-87-3 |
|---|---|
| SMILES | CC12CC3CCC4=C5C3C(C1CCC2O)CCC5=CC(=C4)O |
| InChIKey | XYAKQYBVMFIILR-UHFFFAOYSA-N |
Product Overview
1,11-Ethanoestradiol (CAS 126559-87-3), with molecular formula C20H26O2 and molecular weight 298.19 g/mol. IUPAC: 6-methylpentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-11(19),12,14-triene-5,13-diol.
Chemical Property Profile of 1,11-Ethanoestradiol
Property Insights of 1,11-Ethanoestradiol
The XLogP value of 4.2 indicates that 1,11-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, 1,11-Ethanoestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,11-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
Frequently Asked Questions
What is the CAS number of 1,11-Ethanoestradiol?
The CAS number of 1,11-Ethanoestradiol is 126559-87-3.
What is the molecular formula of 1,11-Ethanoestradiol?
The molecular formula of 1,11-Ethanoestradiol is C20H26O2.
What is the molecular weight of 1,11-Ethanoestradiol?
The molecular weight of 1,11-Ethanoestradiol is 298.19 g/mol.
Where can I buy 1,11-Ethanoestradiol?
You can request a quote for 1,11-Ethanoestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,11-Ethanoestradiol?
Yes, KEHONG BIO provides custom synthesis services for 1,11-Ethanoestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.