Methyl 18-carboxylabda-8,13-diene-15-oate
TL;DR: Methyl 18-carboxylabda-8,13-diene-15-oate (CAS 139628-86-7) is a chemical compound with molecular formula C21H32O4 and molecular weight 348.23007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,4aR,5S,8aR)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Also Known As: Mecolabate, Methyl 18-carboxylabda-8,13-diene-15-oate, labda-8(17),13E-dien-15,18-dioic acid 15-methyl ester, (1R,4aR,5S,8aR)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid, (13E)-Labda-8(20),13-diene-15,18-dioic acid 15-methyl ester
Technical Specifications
| Molecular Formula | C21H32O4 |
| Molecular Weight | 348.23007 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.23007 Da |
| Heavy Atoms | 25 |
| Complexity | 591.0 |
| SMILES | C/C(=C\C(=O)OC)/CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@@]2(C)C(=O)O)C |
| InChIKey | AKIRMBMADXTLAC-OFONLPRCSA-N |
Chemical Property Profile of Methyl 18-carboxylabda-8,13-diene-15-oate
Property Insights of Methyl 18-carboxylabda-8,13-diene-15-oate
The XLogP value of 5.1 indicates that Methyl 18-carboxylabda-8,13-diene-15-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 18-carboxylabda-8,13-diene-15-oate. Following Lipinski's Rule of Five, Methyl 18-carboxylabda-8,13-diene-15-oate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Methyl 18-carboxylabda-8,13-diene-15-oate?
The CAS number of Methyl 18-carboxylabda-8,13-diene-15-oate is 139628-86-7.
What is the molecular formula of Methyl 18-carboxylabda-8,13-diene-15-oate?
The molecular formula of Methyl 18-carboxylabda-8,13-diene-15-oate is C21H32O4.
What is the molecular weight of Methyl 18-carboxylabda-8,13-diene-15-oate?
The molecular weight of Methyl 18-carboxylabda-8,13-diene-15-oate is 348.23007 g/mol.
Where can I buy Methyl 18-carboxylabda-8,13-diene-15-oate?
You can request a quote for Methyl 18-carboxylabda-8,13-diene-15-oate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 18-carboxylabda-8,13-diene-15-oate?
Yes, CoreyChem provides custom synthesis services for Methyl 18-carboxylabda-8,13-diene-15-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.