RefChem:1058736
TL;DR: RefChem:1058736 (CAS 124500-23-8) is a chemical compound with molecular formula C19H24ClNO8 and molecular weight 429.11905 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[bis(2-hydroxyethyl)amino]methyl]-5-(4-chlorophenyl)oxolan-2-one;(E)-but-2-enedioic acid
Also Known As: C15H20ClNO4.C4H4O4.1/2H2O, 2(3H)-Furanone, dihydro-3-((bis(2-hydroxyethyl)amino)methyl)-5-(4-chlorophenyl)-, (Z)-2-butenedioate, hydrate (2:2:1) (salt), C15-H20-Cl-N-O4.C4-H4-O4.1/2H2-O, 3-[(bis(2-hydroxyethyl)amino)methyl]-5-(4-chlorophenyl)oxolan-2-one; But-2-enedioic Acid, 3-[[bis(2-hydroxyethyl)amino]methyl]-5-(4-chlorophenyl)oxolan-2-one; (E)-but-2-enedioic acid
Technical Specifications
| Molecular Formula | C19H24ClNO8 |
| Molecular Weight | 429.11905 g/mol |
| XLogP | 0.9426 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 429.11905 Da |
| Heavy Atoms | 29 |
| Complexity | 447.0 |
| SMILES | C1C(C(=O)OC1C2=CC=C(C=C2)Cl)CN(CCO)CCO.C(=C/C(=O)O)\C(=O)O |
| InChIKey | NSQVMTLCIUMIEG-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1058736
Property Insights of RefChem:1058736
The XLogP value of 0.9426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058736. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:1058736 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1058736 has 4 hydrogen bond donor(s) and 9 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:1058736?
The CAS number of RefChem:1058736 is 124500-23-8.
What is the molecular formula of RefChem:1058736?
The molecular formula of RefChem:1058736 is C19H24ClNO8.
What is the molecular weight of RefChem:1058736?
The molecular weight of RefChem:1058736 is 429.11905 g/mol.
Where can I buy RefChem:1058736?
You can request a quote for RefChem:1058736 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058736?
Yes, CoreyChem provides custom synthesis services for RefChem:1058736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.