1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one
TL;DR: 1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one (CAS 4954-08-9) 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)-1-hydroxy-4,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: Estradiol Impurity 14, Estradiol Impurity 30, 1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one, 1-Hydroxy-4-methyl-estra-1,3,5(10)-trien-17-one, (8R,9S,13S,14S)-1-hydroxy-4,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
| Molecular Formula | C19H24O2 |
|---|---|
| Molecular Weight | 284.18 g/mol |
| LogP | 4.12582 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.17764 |
| Heavy Atoms | 21 |
| Complexity | 618.23755 |
Chemical Identifiers
| CAS Number | 4954-08-9 |
|---|---|
| SMILES | CC1=C2CC[C@@H]3[C@@H](C2=C(C=C1)O)CC[C@]4([C@H]3CCC4=O)C |
Product Overview
1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one (CAS 4954-08-9), with molecular formula C19H24O2 and molecular weight 284.18 g/mol. IUPAC: (8R,9S,13S,14S)-1-hydroxy-4,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one
Property Insights of 1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one
The XLogP value of 4.12582 indicates that 1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one has 1 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-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one?
The CAS number of 1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one is 4954-08-9.
What is the molecular formula of 1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one?
The molecular formula of 1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one is C19H24O2.
What is the molecular weight of 1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one?
The molecular weight of 1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one is 284.18 g/mol.
Where can I buy 1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one?
You can request a quote for 1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-4-methylestra-1,3,5(10)-trien-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.