RefChem:1058753
TL;DR: RefChem:1058753 (CAS 124500-22-7) is a chemical compound with molecular formula C19H22ClNO7 and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;5-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)oxolan-2-one
Also Known As: Dihydro-5-(4-chlorophenyl)-3-(4-morpholinylmethyl)-2(3H)-furanone (Z)-2-butenedioate (1:1), 2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(4-morpholinylmethyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 5-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)oxolan-2-one, RefChem:1058753
| Molecular Formula | C19H22ClNO7 |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 1.9882 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1085 |
| Heavy Atoms | 28 |
| Complexity | 697.49725 |
Chemical Identifiers
| CAS Number | 124500-22-7 |
|---|---|
| SMILES | C1COCCN1CC2CC(OC2=O)C3=CC=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058753 (CAS 124500-22-7), with molecular formula C19H22ClNO7 and molecular weight 411.11 g/mol. IUPAC: (E)-but-2-enedioic acid;5-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)oxolan-2-one.
Chemical Property Profile of RefChem:1058753
Property Insights of RefChem:1058753
The XLogP value of 1.9882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058753. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058753. Following Lipinski's Rule of Five, RefChem:1058753 has 2 hydrogen bond donor(s) and 6 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:1058753?
The CAS number of RefChem:1058753 is 124500-22-7.
What is the molecular formula of RefChem:1058753?
The molecular formula of RefChem:1058753 is C19H22ClNO7.
What is the molecular weight of RefChem:1058753?
The molecular weight of RefChem:1058753 is 411.11 g/mol.
Where can I buy RefChem:1058753?
You can request a quote for RefChem:1058753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058753?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.