3-Deoxyestradiol
TL;DR: 3-Deoxyestradiol (CAS 30034-02-7) is a chemical compound with molecular formula C18H24O and molecular weight 256.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
Also Known As: 3-Deoxyestradiol, 3-Deoxy-17beta-estradiol, Estradiol, 3-deoxy-, Desoxy-dihydroestrone, Estratriene-17beta-ol
| Molecular Formula | C18H24O |
|---|---|
| Molecular Weight | 256.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.1827 |
| Heavy Atoms | 19 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 30034-02-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC=CC=C34 |
| InChIKey | MUENRDYXOADTOC-ZBRFXRBCSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Deoxyestradiol (CAS 30034-02-7), with molecular formula C18H24O and molecular weight 256.18 g/mol. IUPAC: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of 3-Deoxyestradiol
Property Insights of 3-Deoxyestradiol
The XLogP value of 4.4 indicates that 3-Deoxyestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Deoxyestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Deoxyestradiol has 1 hydrogen bond donor(s) and 1 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 3-Deoxyestradiol?
The CAS number of 3-Deoxyestradiol is 30034-02-7.
What is the molecular formula of 3-Deoxyestradiol?
The molecular formula of 3-Deoxyestradiol is C18H24O.
What is the molecular weight of 3-Deoxyestradiol?
The molecular weight of 3-Deoxyestradiol is 256.18 g/mol.
Where can I buy 3-Deoxyestradiol?
You can request a quote for 3-Deoxyestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Deoxyestradiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Deoxyestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.