1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol
TL;DR: 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol (CAS 114846-55-8) is a chemical compound with molecular formula C19H24O2 and molecular weight 284.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17S)-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol, 1-methylestra-1,3,5(10),6-tetraene-3,17, A-diol, 1-Methylestra-1,3,5(10),6-tetrene-3,17beta-diol, Estra-1,3,5(10),6-tetraene-3,17.beta.-diol, 1-methyl-
| Molecular Formula | C19H24O2 |
|---|---|
| Molecular Weight | 284.18 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.17764 |
| Heavy Atoms | 21 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 114846-55-8 |
|---|---|
| SMILES | CC1=CC(=CC2=C1[C@H]3CC[C@]4([C@H]([C@@H]3C=C2)CC[C@@H]4O)C)O |
| InChIKey | WCHXTGUTQVBYIP-QSUVVDIXSA-N |
Product Overview
1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol (CAS 114846-55-8), with molecular formula C19H24O2 and molecular weight 284.18 g/mol. IUPAC: (8R,9S,13S,14S,17S)-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol
Property Insights of 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol
The XLogP value of 4.1 indicates that 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-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, 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-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
Frequently Asked Questions
What is the CAS number of 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol?
The CAS number of 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol is 114846-55-8.
What is the molecular formula of 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol?
The molecular formula of 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol is C19H24O2.
What is the molecular weight of 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol?
The molecular weight of 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol is 284.18 g/mol.
Where can I buy 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol?
You can request a quote for 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.