12-Oxopodocarpa-7,9(11)-dien-15-oic acid
TL;DR: 12-Oxopodocarpa-7,9(11)-dien-15-oic acid (CAS 33360-22-4) is a chemical compound with molecular formula C17H22O3 and molecular weight 274.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4a-dimethyl-6-oxo-3,4,7,8,10,10a-hexahydro-2H-phenanthrene-1-carboxylic acid
Also Known As: 12-oxopodocarpa-7,9(11)-dien-15-oic acid, 1,4a-dimethyl-6-oxo-3,4,7,8,10,10a-hexahydro-2H-phenanthrene-1-carboxylic acid, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,6,7,8,10,10a-decahydro-1,4a-dimethyl-6-oxo-, (1S-(1alpha,4aalpha,10abeta))-
| Molecular Formula | C17H22O3 |
|---|---|
| Molecular Weight | 274.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.1569 |
| Heavy Atoms | 20 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 33360-22-4 |
|---|---|
| SMILES | CC12CCCC(C1CC=C3C2=CC(=O)CC3)(C)C(=O)O |
| InChIKey | GGTHDIPRPUXPMX-UHFFFAOYSA-N |
Product Overview
12-Oxopodocarpa-7,9(11)-dien-15-oic acid (CAS 33360-22-4), with molecular formula C17H22O3 and molecular weight 274.16 g/mol. IUPAC: 1,4a-dimethyl-6-oxo-3,4,7,8,10,10a-hexahydro-2H-phenanthrene-1-carboxylic acid.
Chemical Property Profile of 12-Oxopodocarpa-7,9(11)-dien-15-oic acid
Property Insights of 12-Oxopodocarpa-7,9(11)-dien-15-oic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Oxopodocarpa-7,9(11)-dien-15-oic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 12-Oxopodocarpa-7,9(11)-dien-15-oic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Oxopodocarpa-7,9(11)-dien-15-oic acid 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 12-Oxopodocarpa-7,9(11)-dien-15-oic acid?
The CAS number of 12-Oxopodocarpa-7,9(11)-dien-15-oic acid is 33360-22-4.
What is the molecular formula of 12-Oxopodocarpa-7,9(11)-dien-15-oic acid?
The molecular formula of 12-Oxopodocarpa-7,9(11)-dien-15-oic acid is C17H22O3.
What is the molecular weight of 12-Oxopodocarpa-7,9(11)-dien-15-oic acid?
The molecular weight of 12-Oxopodocarpa-7,9(11)-dien-15-oic acid is 274.16 g/mol.
Where can I buy 12-Oxopodocarpa-7,9(11)-dien-15-oic acid?
You can request a quote for 12-Oxopodocarpa-7,9(11)-dien-15-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Oxopodocarpa-7,9(11)-dien-15-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 12-Oxopodocarpa-7,9(11)-dien-15-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.