Assamicain der.
TL;DR: Assamicain der. (CAS 121795-66-2) is a chemical compound with molecular formula C44H36O22 and molecular weight 916.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R)-5,7-dihydroxy-8-[(1S,2R)-2-(3,4,5-trihydroxybenzoyl)oxy-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)propyl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: Assamicain der., 2-(5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-(3,4,5-trihydroxyphenylcarbonyloxy)chroman-8-yl)-2-(3,4,5-trihydroxyphenyl)-1-((2,4,6-trihydroxyphenyl)methyl)ethyl 3,4,5-trihydroxybenzoate, (1R,2S)-2-[(2R,3R)-3,4-Dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-1-[(2,4,6-trihydroxyphenyl)methyl]ethyl 3,4,5-trihydroxybenzoate, [(2R,3R)-5,7-dihydroxy-8-[(1S,2R)-2-(3,4,5-trihydroxybenzoyl)oxy-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)propyl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate, [(2R,3R)-5,7-dihydroxy-8-[(1S,2R)-2-(3,4,5-trihydroxybenzoyl)oxy-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)propyl]-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate
| Molecular Formula | C44H36O22 |
|---|---|
| Molecular Weight | 916.17 g/mol |
| LogP | 4.1838 |
| Topological Polar Surface Area | 405.74 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 10 |
| Exact Mass | 916.1698 |
| Heavy Atoms | 66 |
| Complexity | 2847.1235 |
Chemical Identifiers
| CAS Number | 121795-66-2 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@H](C3=CC(=C(C(=C3)O)O)O)[C@@H](CC4=C(C=C(C=C4O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O |
Product Overview
Assamicain der. (CAS 121795-66-2), with molecular formula C44H36O22 and molecular weight 916.17 g/mol. IUPAC: [(2R,3R)-5,7-dihydroxy-8-[(1S,2R)-2-(3,4,5-trihydroxybenzoyl)oxy-3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)propyl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Assamicain der.
Property Insights of Assamicain der.
The XLogP value of 4.1838 indicates that Assamicain der. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 405.74 Ų indicates high polarity, suggesting Assamicain der. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Assamicain der. has 17 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Assamicain der.?
The CAS number of Assamicain der. is 121795-66-2.
What is the molecular formula of Assamicain der.?
The molecular formula of Assamicain der. is C44H36O22.
What is the molecular weight of Assamicain der.?
The molecular weight of Assamicain der. is 916.17 g/mol.
Where can I buy Assamicain der.?
You can request a quote for Assamicain der. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Assamicain der.?
Yes, KEHONG BIO provides custom synthesis services for Assamicain der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.