(16alpha)-Estra-1,3,5(10)-triene-3,16-diol
TL;DR: (16alpha)-Estra-1,3,5(10)-triene-3,16-diol (CAS 1090-04-6) is a chemical compound with molecular formula C18H24O2 and molecular weight 272.17764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8S,9S,13R,14S,16R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol
Also Known As: Estradiol-16beta, Estradiol-16alpha, 16alpha-estradiol, 16beta-Estradiol, estradiol-16, (16beta)-isomer
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H24O2 |
| Molecular Weight | 272.17764 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.17764 Da |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2)O)CCC4=C3C=CC(=C4)O |
| InChIKey | DVMAUGGKVWJBDV-FXXCCUJSSA-N |
Chemical Property Profile of (16alpha)-Estra-1,3,5(10)-triene-3,16-diol
Property Insights of (16alpha)-Estra-1,3,5(10)-triene-3,16-diol
The XLogP value of 3.6 indicates that (16alpha)-Estra-1,3,5(10)-triene-3,16-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, (16alpha)-Estra-1,3,5(10)-triene-3,16-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (16alpha)-Estra-1,3,5(10)-triene-3,16-diol 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 (16alpha)-Estra-1,3,5(10)-triene-3,16-diol?
The CAS number of (16alpha)-Estra-1,3,5(10)-triene-3,16-diol is 1090-04-6.
What is the molecular formula of (16alpha)-Estra-1,3,5(10)-triene-3,16-diol?
The molecular formula of (16alpha)-Estra-1,3,5(10)-triene-3,16-diol is C18H24O2.
What is the molecular weight of (16alpha)-Estra-1,3,5(10)-triene-3,16-diol?
The molecular weight of (16alpha)-Estra-1,3,5(10)-triene-3,16-diol is 272.17764 g/mol.
Where can I buy (16alpha)-Estra-1,3,5(10)-triene-3,16-diol?
You can request a quote for (16alpha)-Estra-1,3,5(10)-triene-3,16-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (16alpha)-Estra-1,3,5(10)-triene-3,16-diol?
Yes, CoreyChem provides custom synthesis services for (16alpha)-Estra-1,3,5(10)-triene-3,16-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.