RefChem:1073615
TL;DR: RefChem:1073615 (CAS 70265-29-1) is a chemical compound with molecular formula C22H22N2O7 and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-[(5-hydroxy-1H-indol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Also Known As: Fumarate d'((hydroxy-5' indolyl-3') methyl)-1 tetrahydro-1,2,3,4 isoquinoleine diol-6,7, 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-((5-hydroxy-3-indolyl)methyl)-, (E)-2-butenedioate (1:1) salt, (E)-but-2-enedioic acid; 1-[(5-hydroxy-1H-indol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol, RefChem:1073615
| Molecular Formula | C22H22N2O7 |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 2.426 |
| Topological Polar Surface Area | 163.11 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.1427 |
| Heavy Atoms | 31 |
| Complexity | 1134.212 |
Chemical Identifiers
| CAS Number | 70265-29-1 |
|---|---|
| SMILES | C1CNC(C2=CC(=C(C=C21)O)O)CC3=CNC4=C3C=C(C=C4)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1073615 (CAS 70265-29-1), with molecular formula C22H22N2O7 and molecular weight 426.14 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[(5-hydroxy-1H-indol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol.
Chemical Property Profile of RefChem:1073615
Property Insights of RefChem:1073615
The XLogP value of 2.426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073615. The TPSA of 163.11 Ų indicates high polarity, suggesting RefChem:1073615 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1073615 has 7 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1073615?
The CAS number of RefChem:1073615 is 70265-29-1.
What is the molecular formula of RefChem:1073615?
The molecular formula of RefChem:1073615 is C22H22N2O7.
What is the molecular weight of RefChem:1073615?
The molecular weight of RefChem:1073615 is 426.14 g/mol.
Where can I buy RefChem:1073615?
You can request a quote for RefChem:1073615 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073615?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073615 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.