RefChem:1057799
TL;DR: RefChem:1057799 (CAS 55020-20-7) is a chemical compound with molecular formula C21H29NO5 and molecular weight 375.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Hexahydro-alpha-(2,3-dihydro-1H-inden-5-yl)-1H-azepine-1-ethanol maleate, 1H-Azepine-1-ethanol, hexahydro-alpha-(2,3-dihydro-1H-inden-5-yl)-, (Z)-2-butenedioate (1:1), 1H-AZEPINE-1-ETHANOL, HEXAHYDRO-alpha-(2,3-DIHYDRO-1H-INDEN-5-YL)-, (Z)-2-BUTENE, 2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1057799
| Molecular Formula | C21H29NO5 |
|---|---|
| Molecular Weight | 375.20 g/mol |
| LogP | 0.0447 |
| Topological Polar Surface Area | 102.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.20456 |
| Heavy Atoms | 27 |
| Complexity | 646.5358 |
Chemical Identifiers
| CAS Number | 55020-20-7 |
|---|---|
| SMILES | C1CCC[NH+](CC1)CC(C2=CC3=C(CCC3)C=C2)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1057799 (CAS 55020-20-7), with molecular formula C21H29NO5 and molecular weight 375.20 g/mol. IUPAC: 2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1057799
Property Insights of RefChem:1057799
The XLogP value of 0.0447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1057799. The TPSA of 102.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057799. Following Lipinski's Rule of Five, RefChem:1057799 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:1057799?
The CAS number of RefChem:1057799 is 55020-20-7.
What is the molecular formula of RefChem:1057799?
The molecular formula of RefChem:1057799 is C21H29NO5.
What is the molecular weight of RefChem:1057799?
The molecular weight of RefChem:1057799 is 375.20 g/mol.
Where can I buy RefChem:1057799?
You can request a quote for RefChem:1057799 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057799?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057799 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.