Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate
TL;DR: Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate (CAS 7501-48-6) is a chemical compound with molecular formula C21H32O4 and molecular weight 348.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8a-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylate
Also Known As: Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate, Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate #, methyl 8a-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-2,3,4,4b, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-isopropyl-6-oxo-, methyl ester, methyl 8a-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylate
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 7501-48-6 |
|---|---|
| SMILES | CC(C)C1=CC2(CCC3C(C2CC1=O)(CCCC3(C)C(=O)OC)C)O |
| InChIKey | HDHZYDQBOSLOST-UHFFFAOYSA-N |
Product Overview
Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate (CAS 7501-48-6), with molecular formula C21H32O4 and molecular weight 348.23 g/mol. IUPAC: methyl 8a-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylate.
Chemical Property Profile of Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate
Property Insights of Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate
The XLogP value of 3.5 indicates that Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate. Following Lipinski's Rule of Five, Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate has 1 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 Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate?
The CAS number of Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate is 7501-48-6.
What is the molecular formula of Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate?
The molecular formula of Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate is C21H32O4.
What is the molecular weight of Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate?
The molecular weight of Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate is 348.23 g/mol.
Where can I buy Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate?
You can request a quote for Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 8-hydroxy-12-oxoabiet-13-en-18-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.