Methyl abieta-8,11,13-trien-18-oate
TL;DR: Methyl abieta-8,11,13-trien-18-oate (CAS 92194-54-2) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Also Known As: METHYL DEHYDROABIETATE, Methyl dehydroabietyate, Methyl abieta-8,11,13-trien-18-oate, Dehydroabietic acid methyl ester, NCIOpen2_008041
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 92194-54-2 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)OC)C |
| InChIKey | PGZCJOPTDHWYES-UHFFFAOYSA-N |
Product Overview
Methyl abieta-8,11,13-trien-18-oate (CAS 92194-54-2), with molecular formula C21H30O2 and molecular weight 314.22 g/mol. IUPAC: methyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate.
Chemical Property Profile of Methyl abieta-8,11,13-trien-18-oate
Property Insights of Methyl abieta-8,11,13-trien-18-oate
The XLogP value of 5.9 indicates that Methyl abieta-8,11,13-trien-18-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl abieta-8,11,13-trien-18-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl abieta-8,11,13-trien-18-oate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl abieta-8,11,13-trien-18-oate?
The CAS number of Methyl abieta-8,11,13-trien-18-oate is 92194-54-2.
What is the molecular formula of Methyl abieta-8,11,13-trien-18-oate?
The molecular formula of Methyl abieta-8,11,13-trien-18-oate is C21H30O2.
What is the molecular weight of Methyl abieta-8,11,13-trien-18-oate?
The molecular weight of Methyl abieta-8,11,13-trien-18-oate is 314.22 g/mol.
Where can I buy Methyl abieta-8,11,13-trien-18-oate?
You can request a quote for Methyl abieta-8,11,13-trien-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 abieta-8,11,13-trien-18-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl abieta-8,11,13-trien-18-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.