Deacetylpicraline 3,4,5-trimethoxybenzoate
TL;DR: Deacetylpicraline 3,4,5-trimethoxybenzoate (CAS 102358-22-5) is a chemical compound with molecular formula C31H34N2O8 and molecular weight 562.2315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1R,9S,11S,14E,15S,17S)-14-ethylidene-19-[(3,4,5-trimethoxybenzoyl)oxymethyl]-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
Also Known As: Dap-tmb, Deacetylpicraline 3,4,5-trimethoxybenzoate, Akuammilan-16-carboxylic acid, 2,5-epoxy-1,2-dihydro-17-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (2alpha,5alpha,16R)-, Akuammilan-16-carboxylic acid,2,5-epoxy-1,2-dihydro-17-((3,4,5-trimethoxybenzoyl)oxy)-,methyl ester,(2alpha,5alpha,16R), methyl (1R,9S,11S,14E,15S,17S)-14-ethylidene-19-[(3,4,5-trimethoxybenzoyl)oxymethyl]-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
Technical Specifications
| Molecular Formula | C31H34N2O8 |
| Molecular Weight | 562.2315 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 562.2315 Da |
| Heavy Atoms | 41 |
| Complexity | 1100.0 |
| SMILES | C/C=C\1/CN2[C@H]3C[C@@H]1C([C@@]45[C@@]3(NC6=CC=CC=C64)O[C@H]2C5)(COC(=O)C7=CC(=C(C(=C7)OC)OC)OC)C(=O)OC |
| InChIKey | CLCDMQIWPVOTMQ-OTIPNRPASA-N |
Chemical Property Profile of Deacetylpicraline 3,4,5-trimethoxybenzoate
Property Insights of Deacetylpicraline 3,4,5-trimethoxybenzoate
The XLogP value of 3.3 indicates that Deacetylpicraline 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Deacetylpicraline 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, Deacetylpicraline 3,4,5-trimethoxybenzoate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Deacetylpicraline 3,4,5-trimethoxybenzoate?
The CAS number of Deacetylpicraline 3,4,5-trimethoxybenzoate is 102358-22-5.
What is the molecular formula of Deacetylpicraline 3,4,5-trimethoxybenzoate?
The molecular formula of Deacetylpicraline 3,4,5-trimethoxybenzoate is C31H34N2O8.
What is the molecular weight of Deacetylpicraline 3,4,5-trimethoxybenzoate?
The molecular weight of Deacetylpicraline 3,4,5-trimethoxybenzoate is 562.2315 g/mol.
Where can I buy Deacetylpicraline 3,4,5-trimethoxybenzoate?
You can request a quote for Deacetylpicraline 3,4,5-trimethoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Deacetylpicraline 3,4,5-trimethoxybenzoate?
Yes, CoreyChem provides custom synthesis services for Deacetylpicraline 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.