C15H19ClN2O3.1/2H2O
TL;DR: C15H19ClN2O3.1/2H2O (CAS 139084-69-8) is a chemical compound with molecular formula C15H19ClN2O3 and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
Also Known As: C15H19ClN2O3.1/2H2O, 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid, C15-H19-Cl-N2-O3.1/2H2-O, 4-(4-chlorophenyl)-2-(4-methylpiperazino)-4-oxobutanoic acid, 1-Piperazineacetic acid, alpha-(2-(4-chlorophenyl)-2-oxoethyl)-4-methyl-, hydrate (2:1)
| Molecular Formula | C15H19ClN2O3 |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 1.6134 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.10843 |
| Heavy Atoms | 21 |
| Complexity | 510.15494 |
Chemical Identifiers
| CAS Number | 139084-69-8 |
|---|---|
| SMILES | CN1CCN(CC1)C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
C15H19ClN2O3.1/2H2O (CAS 139084-69-8), with molecular formula C15H19ClN2O3 and molecular weight 310.11 g/mol. IUPAC: 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid.
Chemical Property Profile of C15H19ClN2O3.1/2H2O
Property Insights of C15H19ClN2O3.1/2H2O
The XLogP value of 1.6134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C15H19ClN2O3.1/2H2O. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for C15H19ClN2O3.1/2H2O. Following Lipinski's Rule of Five, C15H19ClN2O3.1/2H2O has 1 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 C15H19ClN2O3.1/2H2O?
The CAS number of C15H19ClN2O3.1/2H2O is 139084-69-8.
What is the molecular formula of C15H19ClN2O3.1/2H2O?
The molecular formula of C15H19ClN2O3.1/2H2O is C15H19ClN2O3.
What is the molecular weight of C15H19ClN2O3.1/2H2O?
The molecular weight of C15H19ClN2O3.1/2H2O is 310.11 g/mol.
Where can I buy C15H19ClN2O3.1/2H2O?
You can request a quote for C15H19ClN2O3.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H19ClN2O3.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C15H19ClN2O3.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.