Dihydroakuammine
TL;DR: Dihydroakuammine (CAS 140146-66-3) is a chemical compound with molecular formula C26H32N2O8 and molecular weight 500.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;methyl (13Z)-13-ethylidene-4-hydroxy-18-(hydroxymethyl)-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2(7),3,5-triene-18-carboxylate
Also Known As: Dihydroakuammine, (E)-But-2-enedioic acid;methyl (13Z)-13-ethylidene-4-hydroxy-18-(hydroxymethyl)-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2(7),3,5-triene-18-carboxylate
| Molecular Formula | C26H32N2O8 |
|---|---|
| Molecular Weight | 500.22 g/mol |
| LogP | 1.7152 |
| Topological Polar Surface Area | 147.84 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 500.21585 |
| Heavy Atoms | 36 |
| Complexity | 1146.5984 |
Chemical Identifiers
| CAS Number | 140146-66-3 |
|---|---|
| SMILES | C/C=C/1\CN2CCC34C2(CCC1C3(CO)C(=O)OC)N(C5=C4C=C(C=C5)O)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
Dihydroakuammine (CAS 140146-66-3), with molecular formula C26H32N2O8 and molecular weight 500.22 g/mol. IUPAC: (E)-but-2-enedioic acid;methyl (13Z)-13-ethylidene-4-hydroxy-18-(hydroxymethyl)-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2(7),3,5-triene-18-carboxylate.
Chemical Property Profile of Dihydroakuammine
Property Insights of Dihydroakuammine
The XLogP value of 1.7152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydroakuammine. The TPSA of 147.84 Ų indicates high polarity, suggesting Dihydroakuammine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dihydroakuammine has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dihydroakuammine?
The CAS number of Dihydroakuammine is 140146-66-3.
What is the molecular formula of Dihydroakuammine?
The molecular formula of Dihydroakuammine is C26H32N2O8.
What is the molecular weight of Dihydroakuammine?
The molecular weight of Dihydroakuammine is 500.22 g/mol.
Where can I buy Dihydroakuammine?
You can request a quote for Dihydroakuammine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydroakuammine?
Yes, KEHONG BIO provides custom synthesis services for Dihydroakuammine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.