Methyl 8,14-epoxyabiet-12-en-18-oate
TL;DR: Methyl 8,14-epoxyabiet-12-en-18-oate (CAS 2598-30-3) is a chemical compound with molecular formula C21H32O3 and molecular weight 332.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5,9-dimethyl-13-propan-2-yl-15-oxatetracyclo[8.5.0.01,14.04,9]pentadec-12-ene-5-carboxylate
Also Known As: methyl 8,14-epoxyabiet-12-en-18-oate
| Molecular Formula | C21H32O3 |
|---|---|
| Molecular Weight | 332.24 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.23514 |
| Heavy Atoms | 24 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 2598-30-3 |
|---|---|
| SMILES | CC(C)C1=CCC2C3(CCCC(C3CCC24C1O4)(C)C(=O)OC)C |
| InChIKey | GJXHDHSFRNFOKH-UHFFFAOYSA-N |
Product Overview
Methyl 8,14-epoxyabiet-12-en-18-oate (CAS 2598-30-3), with molecular formula C21H32O3 and molecular weight 332.24 g/mol. IUPAC: methyl 5,9-dimethyl-13-propan-2-yl-15-oxatetracyclo[8.5.0.01,14.04,9]pentadec-12-ene-5-carboxylate.
Chemical Property Profile of Methyl 8,14-epoxyabiet-12-en-18-oate
Property Insights of Methyl 8,14-epoxyabiet-12-en-18-oate
The XLogP value of 4.2 indicates that Methyl 8,14-epoxyabiet-12-en-18-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Methyl 8,14-epoxyabiet-12-en-18-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 8,14-epoxyabiet-12-en-18-oate has 0 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 Methyl 8,14-epoxyabiet-12-en-18-oate?
The CAS number of Methyl 8,14-epoxyabiet-12-en-18-oate is 2598-30-3.
What is the molecular formula of Methyl 8,14-epoxyabiet-12-en-18-oate?
The molecular formula of Methyl 8,14-epoxyabiet-12-en-18-oate is C21H32O3.
What is the molecular weight of Methyl 8,14-epoxyabiet-12-en-18-oate?
The molecular weight of Methyl 8,14-epoxyabiet-12-en-18-oate is 332.24 g/mol.
Where can I buy Methyl 8,14-epoxyabiet-12-en-18-oate?
You can request a quote for Methyl 8,14-epoxyabiet-12-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 8,14-epoxyabiet-12-en-18-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 8,14-epoxyabiet-12-en-18-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.