Methyl 7,16-bis(acetyloxy)pimaran-18-oate
TL;DR: Methyl 7,16-bis(acetyloxy)pimaran-18-oate (CAS 1749-19-5) is a chemical compound with molecular formula C25H40O6 and molecular weight 436.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9-acetyloxy-7-(2-acetyloxyethyl)-1,4a,7-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate
Also Known As: methyl 7,16-bis(acetyloxy)pimaran-18-oate, methyl 9-acetyloxy-7-(2-acetyloxyethyl)-1,4a,7-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate
| Molecular Formula | C25H40O6 |
|---|---|
| Molecular Weight | 436.28 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 436.2825 |
| Heavy Atoms | 31 |
| Complexity | 719.0 |
Chemical Identifiers
| CAS Number | 1749-19-5 |
|---|---|
| SMILES | CC(=O)OCCC1(CCC2C(C1)C(CC3C2(CCCC3(C)C(=O)OC)C)OC(=O)C)C |
| InChIKey | YSTVSVGSZXDBFD-UHFFFAOYSA-N |
Product Overview
Methyl 7,16-bis(acetyloxy)pimaran-18-oate (CAS 1749-19-5), with molecular formula C25H40O6 and molecular weight 436.28 g/mol. IUPAC: methyl 9-acetyloxy-7-(2-acetyloxyethyl)-1,4a,7-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate.
Chemical Property Profile of Methyl 7,16-bis(acetyloxy)pimaran-18-oate
Property Insights of Methyl 7,16-bis(acetyloxy)pimaran-18-oate
The XLogP value of 5.3 indicates that Methyl 7,16-bis(acetyloxy)pimaran-18-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 7,16-bis(acetyloxy)pimaran-18-oate. Following Lipinski's Rule of Five, Methyl 7,16-bis(acetyloxy)pimaran-18-oate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 7,16-bis(acetyloxy)pimaran-18-oate?
The CAS number of Methyl 7,16-bis(acetyloxy)pimaran-18-oate is 1749-19-5.
What is the molecular formula of Methyl 7,16-bis(acetyloxy)pimaran-18-oate?
The molecular formula of Methyl 7,16-bis(acetyloxy)pimaran-18-oate is C25H40O6.
What is the molecular weight of Methyl 7,16-bis(acetyloxy)pimaran-18-oate?
The molecular weight of Methyl 7,16-bis(acetyloxy)pimaran-18-oate is 436.28 g/mol.
Where can I buy Methyl 7,16-bis(acetyloxy)pimaran-18-oate?
You can request a quote for Methyl 7,16-bis(acetyloxy)pimaran-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 7,16-bis(acetyloxy)pimaran-18-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7,16-bis(acetyloxy)pimaran-18-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.