6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate
TL;DR: 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate (CAS 79694-56-7) is a chemical compound with molecular formula C24H30Br2O4 and molecular weight 540.05 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-acetyl-6-(dibromomethylidene)-10,13-dimethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate, [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-(dibromomethylidene)-10, [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-(dibromomethylidene)-10,13-dimethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate, Pregn-4-ene-3,20-dione,17-(acetyloxy)-6-(dibromomethylene)- (9CI)
| Molecular Formula | C24H30Br2O4 |
|---|---|
| Molecular Weight | 540.05 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 540.0511 |
| Heavy Atoms | 30 |
| Complexity | 886.0 |
Chemical Identifiers
| CAS Number | 79694-56-7 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=C(Br)Br)C4=CC(=O)CC[C@]34C)C)OC(=O)C |
| InChIKey | KGGCKWBZELPNDV-OFOWUMFPSA-N |
Product Overview
6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate (CAS 79694-56-7), with molecular formula C24H30Br2O4 and molecular weight 540.05 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-(dibromomethylidene)-10,13-dimethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate
Property Insights of 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate
The XLogP value of 4.5 indicates that 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl 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 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate. Following Lipinski's Rule of Five, 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate has 0 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 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate?
The CAS number of 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate is 79694-56-7.
What is the molecular formula of 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate?
The molecular formula of 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate is C24H30Br2O4.
What is the molecular weight of 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate?
The molecular weight of 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate is 540.05 g/mol.
Where can I buy 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate?
You can request a quote for 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 6-(Dibromomethylidene)-3,20-dioxopregn-4-en-17-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.