RefChem:1084515
TL;DR: RefChem:1084515 (CAS 55020-18-3) is a chemical compound with molecular formula C21H27NO5 and molecular weight 373.19 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)ethanone;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 1-(2,3-Dihydro-1H-inden-5-yl)-2-(hexahydro-1H-azepin-1-yl)ethanone maleate, Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)-2-(hexahydro-1H-azepin-1-yl)-, (Z)-2-butenedioate (1:1), 2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone; (Z)-4-hydroxy-4-oxobut-2-enoate, ETHANONE, 1-(2,3-DIHYDRO-1H-INDEN-5-YL)-2-(HEXAHYDRO-1H-AZEPIN-1-YL)-, (Z)-2-BUT, RefChem:1084515
| Molecular Formula | C21H27NO5 |
|---|---|
| Molecular Weight | 373.19 g/mol |
| LogP | 0.194 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.18893 |
| Heavy Atoms | 27 |
| Complexity | 686.52356 |
Chemical Identifiers
| CAS Number | 55020-18-3 |
|---|---|
| SMILES | C1CCC[NH+](CC1)CC(=O)C2=CC3=C(CCC3)C=C2.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1084515 (CAS 55020-18-3), with molecular formula C21H27NO5 and molecular weight 373.19 g/mol. IUPAC: 2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1084515
Property Insights of RefChem:1084515
The XLogP value of 0.194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084515. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084515. Following Lipinski's Rule of Five, RefChem:1084515 has 2 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:1084515?
The CAS number of RefChem:1084515 is 55020-18-3.
What is the molecular formula of RefChem:1084515?
The molecular formula of RefChem:1084515 is C21H27NO5.
What is the molecular weight of RefChem:1084515?
The molecular weight of RefChem:1084515 is 373.19 g/mol.
Where can I buy RefChem:1084515?
You can request a quote for RefChem:1084515 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084515?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084515 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.