4-Methylestradiol
TL;DR: 4-Methylestradiol (CAS 6171-48-8) is a chemical compound with molecular formula C19H26O2 and molecular weight 286.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17S)-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 4-Methylestradiol, 4-Methyl Estradiol, 4- Methyl Estradiol, 4 Methyl Estradiol, Estradiol Impurity C
| Molecular Formula | C19H26O2 |
|---|---|
| Molecular Weight | 286.19 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.19327 |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 6171-48-8 |
|---|---|
| SMILES | CC1=C(C=CC2=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O |
| InChIKey | CSHOYPMKTGTOLM-SMYFESCOSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylestradiol (CAS 6171-48-8), with molecular formula C19H26O2 and molecular weight 286.19 g/mol. IUPAC: (8R,9S,13S,14S,17S)-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 4-Methylestradiol
Property Insights of 4-Methylestradiol
The XLogP value of 4.4 indicates that 4-Methylestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Methylestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylestradiol 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 4-Methylestradiol?
The CAS number of 4-Methylestradiol is 6171-48-8.
What is the molecular formula of 4-Methylestradiol?
The molecular formula of 4-Methylestradiol is C19H26O2.
What is the molecular weight of 4-Methylestradiol?
The molecular weight of 4-Methylestradiol is 286.19 g/mol.
Where can I buy 4-Methylestradiol?
You can request a quote for 4-Methylestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylestradiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.