DELMADINONE ACETATE
TL;DR: DELMADINONE ACETATE (CAS 13698-49-2) is a chemical compound with molecular formula C23H27ClO4 and molecular weight 402.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl) acetate
Also Known As: DELMADINONE ACETATE, 6-chloro-3,20-dioxopregna-1,4,6-trien-17-yl acetate, (17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl) acetate
| Molecular Formula | C23H27ClO4 |
|---|---|
| Molecular Weight | 402.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.1598 |
| Heavy Atoms | 28 |
| Complexity | 868.0 |
Chemical Identifiers
| CAS Number | 13698-49-2 |
|---|---|
| SMILES | CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C=CC34C)Cl)C)OC(=O)C |
| InChIKey | CGBCCZZJVKUAMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DELMADINONE ACETATE (CAS 13698-49-2), with molecular formula C23H27ClO4 and molecular weight 402.16 g/mol. IUPAC: (17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl) acetate.
Chemical Property Profile of DELMADINONE ACETATE
Property Insights of DELMADINONE ACETATE
The XLogP value of 3.8 indicates that DELMADINONE ACETATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for DELMADINONE ACETATE. Following Lipinski's Rule of Five, DELMADINONE ACETATE has 0 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 DELMADINONE ACETATE?
The CAS number of DELMADINONE ACETATE is 13698-49-2.
What is the molecular formula of DELMADINONE ACETATE?
The molecular formula of DELMADINONE ACETATE is C23H27ClO4.
What is the molecular weight of DELMADINONE ACETATE?
The molecular weight of DELMADINONE ACETATE is 402.16 g/mol.
Where can I buy DELMADINONE ACETATE?
You can request a quote for DELMADINONE ACETATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DELMADINONE ACETATE?
Yes, KEHONG BIO provides custom synthesis services for DELMADINONE ACETATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.