9,11-Secoestradiol
TL;DR: 9,11-Secoestradiol (CAS 56502-08-0) is a chemical compound with molecular formula C18H26O2 and molecular weight 274.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-6-[(1S,2S,3S)-2-ethyl-3-hydroxy-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol
Also Known As: 9,11-Secoestradiol, (6R)-6-[(1S,2S,3S)-2-ethyl-3-hydroxy-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol, 2-Naphthalanol, 5,6,7,8-tetrahydro-6-(2-ethyl-3-hydroxy-2-methylcyclopentyl)-, (1S-(1-alpha(S*),2-beta,3-alpha))-, 6-(2-Ethyl-3-hydroxy-2-methylcyclopentyl)-5,6,7,8-tetrahydronaphthalen-2-ol, (6R)-6-((1S,2S,3S)-2-ETHYL-3-HYDROXY-2-METHYLCYCLOPENTYL)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL
| Molecular Formula | C18H26O2 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.19327 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 56502-08-0 |
|---|---|
| SMILES | CC[C@]1([C@@H](CC[C@@H]1O)[C@@H]2CCC3=C(C2)C=CC(=C3)O)C |
| InChIKey | QXGFVQAYQWMTSW-UBDQQSCGSA-N |
Product Overview
9,11-Secoestradiol (CAS 56502-08-0), with molecular formula C18H26O2 and molecular weight 274.19 g/mol. IUPAC: (6R)-6-[(1S,2S,3S)-2-ethyl-3-hydroxy-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
Chemical Property Profile of 9,11-Secoestradiol
Property Insights of 9,11-Secoestradiol
The XLogP value of 4.3 indicates that 9,11-Secoestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 9,11-Secoestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,11-Secoestradiol 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 9,11-Secoestradiol?
The CAS number of 9,11-Secoestradiol is 56502-08-0.
What is the molecular formula of 9,11-Secoestradiol?
The molecular formula of 9,11-Secoestradiol is C18H26O2.
What is the molecular weight of 9,11-Secoestradiol?
The molecular weight of 9,11-Secoestradiol is 274.19 g/mol.
Where can I buy 9,11-Secoestradiol?
You can request a quote for 9,11-Secoestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,11-Secoestradiol?
Yes, KEHONG BIO provides custom synthesis services for 9,11-Secoestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.