Modicon
TL;DR: Modicon (CAS 37270-71-6) is a chemical compound with molecular formula C40H50O4 and molecular weight 594.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: Modicon, Ovcon, Norminest, Brevicon, Duagynon
| Molecular Formula | C40H50O4 |
|---|---|
| Molecular Weight | 594.37 g/mol |
| LogP | 7.11 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 594.3709 |
| Heavy Atoms | 44 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 37270-71-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O |
| InChIKey | NAPPWIFDUAHTRY-XYDRQXHOSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Modicon (CAS 37270-71-6), with molecular formula C40H50O4 and molecular weight 594.37 g/mol. IUPAC: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Modicon
Property Insights of Modicon
The XLogP value of 7.11 indicates that Modicon is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Modicon. Following Lipinski's Rule of Five, Modicon has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Modicon?
The CAS number of Modicon is 37270-71-6.
What is the molecular formula of Modicon?
The molecular formula of Modicon is C40H50O4.
What is the molecular weight of Modicon?
The molecular weight of Modicon is 594.37 g/mol.
Where can I buy Modicon?
You can request a quote for Modicon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Modicon?
Yes, KEHONG BIO provides custom synthesis services for Modicon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.