RefChem:1097182
TL;DR: RefChem:1097182 (CAS 57791-06-7) is a chemical compound with molecular formula C21H28N2O5 and molecular weight 388.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-(1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N-methylpropan-1-amine
Also Known As: 1-(3-Methylaminopropyl)-1,9-dimethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole maleate, Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,9-dimethyl-1-(3-(methylamino)propyl)-, maleate, (E)-but-2-enedioic acid; 3-(1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N-methylpropan-1-amine, Pyrano[3,4-b]indole-1-propanamine, 1,3,4,9-tetrahydro-N,1,9-trimethyl-, (Z)-2-butenedioate (1:1), RefChem:1097182
| Molecular Formula | C21H28N2O5 |
|---|---|
| Molecular Weight | 388.20 g/mol |
| LogP | 2.6776 |
| Topological Polar Surface Area | 100.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.19983 |
| Heavy Atoms | 28 |
| Complexity | 855.0483 |
Chemical Identifiers
| CAS Number | 57791-06-7 |
|---|---|
| SMILES | CC1(C2=C(CCO1)C3=CC=CC=C3N2C)CCCNC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097182 (CAS 57791-06-7), with molecular formula C21H28N2O5 and molecular weight 388.20 g/mol. IUPAC: (E)-but-2-enedioic acid;3-(1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N-methylpropan-1-amine.
Chemical Property Profile of RefChem:1097182
Property Insights of RefChem:1097182
The XLogP value of 2.6776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097182. The TPSA of 100.79 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097182. Following Lipinski's Rule of Five, RefChem:1097182 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097182?
The CAS number of RefChem:1097182 is 57791-06-7.
What is the molecular formula of RefChem:1097182?
The molecular formula of RefChem:1097182 is C21H28N2O5.
What is the molecular weight of RefChem:1097182?
The molecular weight of RefChem:1097182 is 388.20 g/mol.
Where can I buy RefChem:1097182?
You can request a quote for RefChem:1097182 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097182?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097182 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.