12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile
TL;DR: 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile (CAS 59353-62-7) is a chemical compound with molecular formula C21H23NO3 and molecular weight 337.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4aS,10aR)-6,7-diacetyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbonitrile
Also Known As: 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile, 12,13-Diacetyl-7-oxopodocarpa-8,11,13-triene-15-nitrile, 12-acetyl-7,16-dioxo-15-nor-pimara-8,11,13-triene-18-nitrile, (1R,4aS,10aR)-6,7-diacetyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbonitrile, 6,2,3,4,4A,9,10,10A-OCTAHYDRO-1.BETA.,4A.BETA.-DIMETHYL-9-OXOPHENANTHRENE
| Molecular Formula | C21H23NO3 |
|---|---|
| Molecular Weight | 337.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.1678 |
| Heavy Atoms | 25 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 59353-62-7 |
|---|---|
| SMILES | CC(=O)C1=C(C=C2C(=C1)C(=O)C[C@@H]3[C@@]2(CCC[C@@]3(C)C#N)C)C(=O)C |
| InChIKey | AMGXJWRKZPRKGD-PCCBWWKXSA-N |
Product Overview
12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile (CAS 59353-62-7), with molecular formula C21H23NO3 and molecular weight 337.17 g/mol. IUPAC: (1R,4aS,10aR)-6,7-diacetyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbonitrile.
Chemical Property Profile of 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile
Property Insights of 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile. Following Lipinski's Rule of Five, 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile 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 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile?
The CAS number of 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile is 59353-62-7.
What is the molecular formula of 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile?
The molecular formula of 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile is C21H23NO3.
What is the molecular weight of 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile?
The molecular weight of 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile is 337.17 g/mol.
Where can I buy 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile?
You can request a quote for 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile?
Yes, KEHONG BIO provides custom synthesis services for 12,13-diacetyl-7-oxopodocarpa-8(14),9(11),12-triene-15-nitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.