侧厚千里光碱7,9-三甲氧基苯甲酸二酯
TL;DR: 侧厚千里光碱7,9-三甲氧基苯甲酸二酯 (CAS 39818-20-7) is a chemical compound with molecular formula C28H35NO10 and molecular weight 545.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
侧厚千里光碱7,9-三甲氧基苯甲酸二酯
[(1S,7R,8R)-7-(3,4,5-trimethoxybenzoyl)oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3,4,5-trimethoxybenzoate
Also Known As: Platynecine 7,9-trimethoxybenzoate diester, Benzoic acid, 3,4,5-trimethoxy-, hexahydro-7-(((3,4,5-trimethoxybenzoyl)oxy)methyl)-1H-pyrrolizin-1-yl ester, (1R-(1alpha,7alpha,7abeta))-, [(1r,7s,8r)-7-[(3,4,5-trimethoxybenzoyl)oxymethyl]-2,3,5,6,7,8-hexahydro-1h-pyrrolizin-1-yl] 3,4,5-trimethoxybenzoate, [(1S,7R,8R)-7-(3,4,5-trimethoxybenzoyl)oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3,4,5-trimethoxybenzoate, {(1S,7R,7aR)-7-[(3,4,5-trimethoxybenzoyl)oxy]hexahydro-1H-pyrrolizin-1-yl}methyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C28H35NO10 |
|---|---|
| Molecular Weight | 545.23 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 545.2261 |
| Heavy Atoms | 39 |
| Complexity | 785.0 |
Chemical Identifiers
| CAS Number | 39818-20-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC[C@H]2CCN3[C@H]2[C@@H](CC3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC |
| InChIKey | JBPRIJMEDPQESJ-SWWFSWNPSA-N |
Product Overview
侧厚千里光碱7,9-三甲氧基苯甲酸二酯 (CAS 39818-20-7), with molecular formula C28H35NO10 and molecular weight 545.23 g/mol. IUPAC: [(1S,7R,8R)-7-(3,4,5-trimethoxybenzoyl)oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 侧厚千里光碱7,9-三甲氧基苯甲酸二酯
Property Insights of 侧厚千里光碱7,9-三甲氧基苯甲酸二酯
The XLogP value of 3.8 indicates that 侧厚千里光碱7,9-三甲氧基苯甲酸二酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 侧厚千里光碱7,9-三甲氧基苯甲酸二酯. Following Lipinski's Rule of Five, 侧厚千里光碱7,9-三甲氧基苯甲酸二酯 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 侧厚千里光碱7,9-三甲氧基苯甲酸二酯?
The CAS number of 侧厚千里光碱7,9-三甲氧基苯甲酸二酯 is 39818-20-7.
What is the molecular formula of 侧厚千里光碱7,9-三甲氧基苯甲酸二酯?
The molecular formula of 侧厚千里光碱7,9-三甲氧基苯甲酸二酯 is C28H35NO10.
What is the molecular weight of 侧厚千里光碱7,9-三甲氧基苯甲酸二酯?
The molecular weight of 侧厚千里光碱7,9-三甲氧基苯甲酸二酯 is 545.23 g/mol.
Where can I buy 侧厚千里光碱7,9-三甲氧基苯甲酸二酯?
You can request a quote for 侧厚千里光碱7,9-三甲氧基苯甲酸二酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 侧厚千里光碱7,9-三甲氧基苯甲酸二酯?
Yes, KEHONG BIO provides custom synthesis services for 侧厚千里光碱7,9-三甲氧基苯甲酸二酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.