Estra-1,3,5(10)-trien-3-ol
TL;DR: Estra-1,3,5(10)-trien-3-ol (CAS 53-63-4) 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.
(8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Also Known As: 17-Deoxyestradiol, 17-Deoxyestrone, 17-Desoxyestradiol, Deoxoestrone, 17-Deoxyoestrone
| Molecular Formula | C18H24O |
|---|---|
| Molecular Weight | 256.18 g/mol |
| LogP | 5.6 |
| 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 | 53-63-4 |
|---|---|
| SMILES | C[C@@]12CCC[C@H]1[C@@H]3CCC4=C([C@H]3CC2)C=CC(=C4)O |
| InChIKey | HJKVPZJVBHWFCQ-BDXSIMOUSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estra-1,3,5(10)-trien-3-ol (CAS 53-63-4), with molecular formula C18H24O and molecular weight 256.18 g/mol. IUPAC: (8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of Estra-1,3,5(10)-trien-3-ol
Property Insights of Estra-1,3,5(10)-trien-3-ol
The XLogP value of 5.6 indicates that Estra-1,3,5(10)-trien-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Estra-1,3,5(10)-trien-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-1,3,5(10)-trien-3-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estra-1,3,5(10)-trien-3-ol?
The CAS number of Estra-1,3,5(10)-trien-3-ol is 53-63-4.
What is the molecular formula of Estra-1,3,5(10)-trien-3-ol?
The molecular formula of Estra-1,3,5(10)-trien-3-ol is C18H24O.
What is the molecular weight of Estra-1,3,5(10)-trien-3-ol?
The molecular weight of Estra-1,3,5(10)-trien-3-ol is 256.18 g/mol.
Where can I buy Estra-1,3,5(10)-trien-3-ol?
You can request a quote for Estra-1,3,5(10)-trien-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estra-1,3,5(10)-trien-3-ol?
Yes, KEHONG BIO provides custom synthesis services for Estra-1,3,5(10)-trien-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.