RefChem:1058752
TL;DR: RefChem:1058752 (CAS 124500-20-5) is a chemical compound with molecular formula C19H22ClNO6 and molecular weight 395.11356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;5-(4-chlorophenyl)-3-(pyrrolidin-1-ylmethyl)oxolan-2-one
Also Known As: Dihydro-5-(4-chlorophenyl)-3-(1-pyrrolidinylmethyl)-2(3H)-furanone (Z)-2-butenedioate (1:1), 2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(1-pyrrolidinylmethyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 5-(4-chlorophenyl)-3-(pyrrolidin-1-ylmethyl)oxolan-2-one
Technical Specifications
| Molecular Formula | C19H22ClNO6 |
| Molecular Weight | 395.11356 g/mol |
| XLogP | 2.7518 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.11356 Da |
| Heavy Atoms | 27 |
| Complexity | 441.0 |
| SMILES | C1CCN(C1)CC2CC(OC2=O)C3=CC=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O |
| InChIKey | IQSOEQIDRFGPBZ-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1058752
Property Insights of RefChem:1058752
The XLogP value of 2.7518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058752. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058752. Following Lipinski's Rule of Five, RefChem:1058752 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1058752?
The CAS number of RefChem:1058752 is 124500-20-5.
What is the molecular formula of RefChem:1058752?
The molecular formula of RefChem:1058752 is C19H22ClNO6.
What is the molecular weight of RefChem:1058752?
The molecular weight of RefChem:1058752 is 395.11356 g/mol.
Where can I buy RefChem:1058752?
You can request a quote for RefChem:1058752 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058752?
Yes, CoreyChem provides custom synthesis services for RefChem:1058752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.