4-Hydroxy-2-methylestradiol
TL;DR: 4-Hydroxy-2-methylestradiol (CAS 84872-84-4) is a chemical compound with molecular formula C19H26O3 and molecular weight 302.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17S)-2,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol
Also Known As: 4-Hydroxy-2-methylestradiol, 2-Methylestra-1,3,5(10)-triene-3,4,17-triol, 2-Methylestra-1,3,5(10)-triene-3,4,17beta-triol, Estra-1,3,5(10)-triene-3,4,17-triol, 2-methyl-, (17beta)-, (8R,9S,13S,14S,17S)-2,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol
| Molecular Formula | C19H26O3 |
|---|---|
| Molecular Weight | 302.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.1882 |
| Heavy Atoms | 22 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 84872-84-4 |
|---|---|
| SMILES | CC1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)C(=C1O)O |
| InChIKey | JTWXFIVAPGTLBX-GPQWERQGSA-N |
Product Overview
4-Hydroxy-2-methylestradiol (CAS 84872-84-4), with molecular formula C19H26O3 and molecular weight 302.19 g/mol. IUPAC: (8R,9S,13S,14S,17S)-2,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol.
Chemical Property Profile of 4-Hydroxy-2-methylestradiol
Property Insights of 4-Hydroxy-2-methylestradiol
The XLogP value of 4.0 indicates that 4-Hydroxy-2-methylestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-2-methylestradiol. Following Lipinski's Rule of Five, 4-Hydroxy-2-methylestradiol has 3 hydrogen bond donor(s) and 3 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 4-Hydroxy-2-methylestradiol?
The CAS number of 4-Hydroxy-2-methylestradiol is 84872-84-4.
What is the molecular formula of 4-Hydroxy-2-methylestradiol?
The molecular formula of 4-Hydroxy-2-methylestradiol is C19H26O3.
What is the molecular weight of 4-Hydroxy-2-methylestradiol?
The molecular weight of 4-Hydroxy-2-methylestradiol is 302.19 g/mol.
Where can I buy 4-Hydroxy-2-methylestradiol?
You can request a quote for 4-Hydroxy-2-methylestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2-methylestradiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2-methylestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.