Methyl 7,11-dioxoabiet-8-en-18-oate
TL;DR: Methyl 7,11-dioxoabiet-8-en-18-oate (CAS 21677-28-1) is a chemical compound with molecular formula C21H30O4 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,4a-dimethyl-5,9-dioxo-7-propan-2-yl-2,3,4,6,7,8,10,10a-octahydrophenanthrene-1-carboxylate
Also Known As: methyl 7,11-dioxoabiet-8-en-18-oate, methyl 1,4a-dimethyl-5,9-dioxo-7-propan-2-yl-2,3,4,6,7,8,10,10a-octahydrophenanthrene-1-carboxylate
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 21677-28-1 |
|---|---|
| SMILES | CC(C)C1CC2=C(C(=O)C1)C3(CCCC(C3CC2=O)(C)C(=O)OC)C |
| InChIKey | WLBYCPFDUFBHJM-UHFFFAOYSA-N |
Product Overview
Methyl 7,11-dioxoabiet-8-en-18-oate (CAS 21677-28-1), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: methyl 1,4a-dimethyl-5,9-dioxo-7-propan-2-yl-2,3,4,6,7,8,10,10a-octahydrophenanthrene-1-carboxylate.
Chemical Property Profile of Methyl 7,11-dioxoabiet-8-en-18-oate
Property Insights of Methyl 7,11-dioxoabiet-8-en-18-oate
The XLogP value of 3.6 indicates that Methyl 7,11-dioxoabiet-8-en-18-oate 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 Methyl 7,11-dioxoabiet-8-en-18-oate. Following Lipinski's Rule of Five, Methyl 7,11-dioxoabiet-8-en-18-oate 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 Methyl 7,11-dioxoabiet-8-en-18-oate?
The CAS number of Methyl 7,11-dioxoabiet-8-en-18-oate is 21677-28-1.
What is the molecular formula of Methyl 7,11-dioxoabiet-8-en-18-oate?
The molecular formula of Methyl 7,11-dioxoabiet-8-en-18-oate is C21H30O4.
What is the molecular weight of Methyl 7,11-dioxoabiet-8-en-18-oate?
The molecular weight of Methyl 7,11-dioxoabiet-8-en-18-oate is 346.21 g/mol.
Where can I buy Methyl 7,11-dioxoabiet-8-en-18-oate?
You can request a quote for Methyl 7,11-dioxoabiet-8-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 7,11-dioxoabiet-8-en-18-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7,11-dioxoabiet-8-en-18-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.