19-Acetylenic-deoxycorticosterone
TL;DR: 19-Acetylenic-deoxycorticosterone (CAS 127080-69-7) is a chemical compound with molecular formula C23H30O3 and molecular weight 354.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-13-methyl-10-prop-2-ynyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 19-Ac-Doc, 19-Acetylenic-deoxycorticosterone, 21-Hydroxy-10-(2-propynyl)-19-norpregn-4-ene-3,20-dione, (8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-13-methyl-10-prop-2-ynyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one, 19-Norpregn-4-ene-3,20-dione, 21-hydroxy-10-(2-propynyl)-
| Molecular Formula | C23H30O3 |
|---|---|
| Molecular Weight | 354.22 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.21948 |
| Heavy Atoms | 26 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 127080-69-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34CC#C |
| InChIKey | FRJMUTSJHOCODZ-ACXQXYJUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
19-Acetylenic-deoxycorticosterone (CAS 127080-69-7), with molecular formula C23H30O3 and molecular weight 354.22 g/mol. IUPAC: (8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-13-methyl-10-prop-2-ynyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 19-Acetylenic-deoxycorticosterone
Property Insights of 19-Acetylenic-deoxycorticosterone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 19-Acetylenic-deoxycorticosterone. With a topological polar surface area (TPSA) of 54.4 Ų, 19-Acetylenic-deoxycorticosterone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 19-Acetylenic-deoxycorticosterone has 1 hydrogen bond donor(s) and 3 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 19-Acetylenic-deoxycorticosterone?
The CAS number of 19-Acetylenic-deoxycorticosterone is 127080-69-7.
What is the molecular formula of 19-Acetylenic-deoxycorticosterone?
The molecular formula of 19-Acetylenic-deoxycorticosterone is C23H30O3.
What is the molecular weight of 19-Acetylenic-deoxycorticosterone?
The molecular weight of 19-Acetylenic-deoxycorticosterone is 354.22 g/mol.
Where can I buy 19-Acetylenic-deoxycorticosterone?
You can request a quote for 19-Acetylenic-deoxycorticosterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-Acetylenic-deoxycorticosterone?
Yes, KEHONG BIO provides custom synthesis services for 19-Acetylenic-deoxycorticosterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.