1-Methyl-ethinylestradiol
TL;DR: 1-Methyl-ethinylestradiol (CAS 18060-37-2) is a chemical compound with molecular formula C21H26O2 and molecular weight 310.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17R)-17-ethynyl-1,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: 1-Methyl-ethinylestradiol, 1-Methyl Ethynyl Estradiol, 1-Methyl-ethinyl estradiol, Ethinylestradiol EP Impurity J, Ethynylestradiol-10methyl
| Molecular Formula | C21H26O2 |
|---|---|
| Molecular Weight | 310.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.19327 |
| Heavy Atoms | 23 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 18060-37-2 |
|---|---|
| SMILES | CC1=CC(=CC2=C1[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@]4(C#C)O)C)O |
| InChIKey | DNVMUVXCXXCYEH-JOTVOLILSA-N |
Product Overview
1-Methyl-ethinylestradiol (CAS 18060-37-2), with molecular formula C21H26O2 and molecular weight 310.19 g/mol. IUPAC: (8R,9S,13S,14S,17R)-17-ethynyl-1,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 1-Methyl-ethinylestradiol
Property Insights of 1-Methyl-ethinylestradiol
The XLogP value of 4.0 indicates that 1-Methyl-ethinylestradiol 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-Methyl-ethinylestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-ethinylestradiol 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-Methyl-ethinylestradiol?
The CAS number of 1-Methyl-ethinylestradiol is 18060-37-2.
What is the molecular formula of 1-Methyl-ethinylestradiol?
The molecular formula of 1-Methyl-ethinylestradiol is C21H26O2.
What is the molecular weight of 1-Methyl-ethinylestradiol?
The molecular weight of 1-Methyl-ethinylestradiol is 310.19 g/mol.
Where can I buy 1-Methyl-ethinylestradiol?
You can request a quote for 1-Methyl-ethinylestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-ethinylestradiol?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-ethinylestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.