C19H31N3O.2C2H2O4.1/2H2O
TL;DR: C19H31N3O.2C2H2O4.1/2H2O (CAS 77562-96-0) is a chemical compound with molecular formula C23H35N3O9 and molecular weight 497.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;N-phenyl-N-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]propanamide
Also Known As: C19H31N3O.2C2H2O4.1/2H2O, N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)propionanilide oxalate hydrate (2:4:1), C19-H31-N3-O.2C2-H2-O4.1/2H2-O, Propanamide, N-(1-methyl-2-(4-(1-methylethyl)-1-piperazinyl)ethyl)-N-phenyl-, ethanedioate, hydrate (2:4:1), Oxalic acid--N-phenyl-N-{1-[4-(propan-2-yl)piperazin-1-yl]propan-2-yl}propanamide (2/1)
| Molecular Formula | C23H35N3O9 |
|---|---|
| Molecular Weight | 497.24 g/mol |
| LogP | 1.1553 |
| Topological Polar Surface Area | 175.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.23734 |
| Heavy Atoms | 35 |
| Complexity | 789.8986 |
Chemical Identifiers
| CAS Number | 77562-96-0 |
|---|---|
| SMILES | CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)C(C)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
C19H31N3O.2C2H2O4.1/2H2O (CAS 77562-96-0), with molecular formula C23H35N3O9 and molecular weight 497.24 g/mol. IUPAC: oxalic acid;N-phenyl-N-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]propanamide.
Chemical Property Profile of C19H31N3O.2C2H2O4.1/2H2O
Property Insights of C19H31N3O.2C2H2O4.1/2H2O
The XLogP value of 1.1553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H31N3O.2C2H2O4.1/2H2O. The TPSA of 175.99 Ų indicates high polarity, suggesting C19H31N3O.2C2H2O4.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C19H31N3O.2C2H2O4.1/2H2O has 4 hydrogen bond donor(s) and 7 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 C19H31N3O.2C2H2O4.1/2H2O?
The CAS number of C19H31N3O.2C2H2O4.1/2H2O is 77562-96-0.
What is the molecular formula of C19H31N3O.2C2H2O4.1/2H2O?
The molecular formula of C19H31N3O.2C2H2O4.1/2H2O is C23H35N3O9.
What is the molecular weight of C19H31N3O.2C2H2O4.1/2H2O?
The molecular weight of C19H31N3O.2C2H2O4.1/2H2O is 497.24 g/mol.
Where can I buy C19H31N3O.2C2H2O4.1/2H2O?
You can request a quote for C19H31N3O.2C2H2O4.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H31N3O.2C2H2O4.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C19H31N3O.2C2H2O4.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.