RefChem:1084593
TL;DR: RefChem:1084593 (CAS 55020-14-9) is a chemical compound with molecular formula C20H27NO5 and molecular weight 361.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-methylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 2-(Butylmethylamino)-1-(2,3-dihydro-1H-inden-5-yl)ethanone maleate, Ethanone, 2-(butylmethylamino)-1-(2,3-dihydro-1H-inden-5-yl)-, (Z)-2-butenedioate (1:1), ETHANONE, 2-(BUTYLMETHYLAMINO)-1-(2,3-DIHYDRO-1H-INDEN-5-YL)-, (Z)-2-BUTENEDIOAT, butyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-methylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1084593
| Molecular Formula | C20H27NO5 |
|---|---|
| Molecular Weight | 361.19 g/mol |
| LogP | 0.0499 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.18893 |
| Heavy Atoms | 26 |
| Complexity | 650.1654 |
Chemical Identifiers
| CAS Number | 55020-14-9 |
|---|---|
| SMILES | CCCC[NH+](C)CC(=O)C1=CC2=C(CCC2)C=C1.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1084593 (CAS 55020-14-9), with molecular formula C20H27NO5 and molecular weight 361.19 g/mol. IUPAC: butyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-methylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1084593
Property Insights of RefChem:1084593
The XLogP value of 0.0499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084593. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084593. Following Lipinski's Rule of Five, RefChem:1084593 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:1084593?
The CAS number of RefChem:1084593 is 55020-14-9.
What is the molecular formula of RefChem:1084593?
The molecular formula of RefChem:1084593 is C20H27NO5.
What is the molecular weight of RefChem:1084593?
The molecular weight of RefChem:1084593 is 361.19 g/mol.
Where can I buy RefChem:1084593?
You can request a quote for RefChem:1084593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084593?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.