12-Methyl-5-dehydrohorminone
TL;DR: 12-Methyl-5-dehydrohorminone (CAS 199986-66-8) is a chemical compound with molecular formula C21H28O4 and molecular weight 344.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4bS,10R)-10-hydroxy-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,10-tetrahydrophenanthrene-1,4-dione
Also Known As: 12-Methyl-5-dehydrohorminone, (4bS,10R)-10-hydroxy-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,10-tetrahydrophenanthrene-1,4-dione, (7alpha)-7-hydroxy-12-methoxyabieta-5,8,12-triene-11,14-dione, 7alpha-Hydroxy-12-methoxyabieta-5,8,12-triene-11,14-dione, (4bS,10R)-10-hydroxy-2-isopropyl-3-methoxy-4b,8,8-trimethyl-5,6,7,10-tetrahydrophenanthrene-1,4-dione
| Molecular Formula | C21H28O4 |
|---|---|
| Molecular Weight | 344.20 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.19876 |
| Heavy Atoms | 25 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 199986-66-8 |
|---|---|
| SMILES | CC(C)C1=C(C(=O)C2=C(C1=O)[C@@H](C=C3[C@@]2(CCCC3(C)C)C)O)OC |
| InChIKey | RUONQJYGQKYSSL-GTJPDFRWSA-N |
Product Overview
12-Methyl-5-dehydrohorminone (CAS 199986-66-8), with molecular formula C21H28O4 and molecular weight 344.20 g/mol. IUPAC: (4bS,10R)-10-hydroxy-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,10-tetrahydrophenanthrene-1,4-dione.
Chemical Property Profile of 12-Methyl-5-dehydrohorminone
Property Insights of 12-Methyl-5-dehydrohorminone
The XLogP value of 3.8 indicates that 12-Methyl-5-dehydrohorminone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Methyl-5-dehydrohorminone. Following Lipinski's Rule of Five, 12-Methyl-5-dehydrohorminone has 1 hydrogen bond donor(s) and 4 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 12-Methyl-5-dehydrohorminone?
The CAS number of 12-Methyl-5-dehydrohorminone is 199986-66-8.
What is the molecular formula of 12-Methyl-5-dehydrohorminone?
The molecular formula of 12-Methyl-5-dehydrohorminone is C21H28O4.
What is the molecular weight of 12-Methyl-5-dehydrohorminone?
The molecular weight of 12-Methyl-5-dehydrohorminone is 344.20 g/mol.
Where can I buy 12-Methyl-5-dehydrohorminone?
You can request a quote for 12-Methyl-5-dehydrohorminone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Methyl-5-dehydrohorminone?
Yes, KEHONG BIO provides custom synthesis services for 12-Methyl-5-dehydrohorminone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.