Nupharin A
TL;DR: Nupharin A (CAS 81956-07-2) is a chemical compound with molecular formula C41H30O26 and molecular weight 938.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5,20,21,22-hexahydroxy-8,17-dioxo-13,14-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]methyl 3,4,5-trihydroxybenzoate
Also Known As: Nupharin A, N-Chloroethylnitrosourea asparaginamide, alpha-D-Glucopyranose, cyclic 3,4-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1,2,6-tris(3,4,5-trihydroxybenzoate), (S)-, 8,9,10,11,12,13-hexahydroxy-6,15-dioxo-1-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-3,4,4a,6,15,16a-hexahydro-1H-dibenzo[f,h]pyrano[3,4-b][1,4]dioxecine-3,4-diyl bis(3,4,5-trihydroxybenzoate)
| Molecular Formula | C41H30O26 |
|---|---|
| Molecular Weight | 938.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 444.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 10 |
| Exact Mass | 938.10254 |
| Heavy Atoms | 67 |
| Complexity | 1770.0 |
Chemical Identifiers
| CAS Number | 81956-07-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O3)O)O)O)O)O)O |
| InChIKey | ZQYQKZCDCFVYLV-UHFFFAOYSA-N |
Product Overview
Nupharin A (CAS 81956-07-2), with molecular formula C41H30O26 and molecular weight 938.10 g/mol. IUPAC: [3,4,5,20,21,22-hexahydroxy-8,17-dioxo-13,14-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]methyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Nupharin A
Property Insights of Nupharin A
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nupharin A. The TPSA of 444.0 Ų indicates high polarity, suggesting Nupharin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nupharin A has 15 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nupharin A?
The CAS number of Nupharin A is 81956-07-2.
What is the molecular formula of Nupharin A?
The molecular formula of Nupharin A is C41H30O26.
What is the molecular weight of Nupharin A?
The molecular weight of Nupharin A is 938.10 g/mol.
Where can I buy Nupharin A?
You can request a quote for Nupharin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nupharin A?
Yes, KEHONG BIO provides custom synthesis services for Nupharin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.