C17H29N3.2C2H2O4.1/2H2O
TL;DR: C17H29N3.2C2H2O4.1/2H2O (CAS 77562-88-0) is a chemical compound with molecular formula C21H33N3O8 and molecular weight 455.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-butyl-4-phenylpiperazin-1-yl)propan-2-amine;oxalic acid
Also Known As: C17H29N3.2C2H2O4.1/2H2O, N-(1-Methyl-2-(4-n-butylpiperazino)ethyl)aniline dioxalate hemihydrate, C17-H29-N3.2C2-H2-O4.1/2H2-O, 1-Piperazineethanamine, 4-butyl-alpha-methyl-N-phenyl-, ethanedioate, hydrate (2:4:1), 1-(2-butyl-4-phenylpiperazin-1-yl)propan-2-amine; oxalic acid
| Molecular Formula | C21H33N3O8 |
|---|---|
| Molecular Weight | 455.23 g/mol |
| LogP | 1.0258 |
| Topological Polar Surface Area | 181.7 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.22678 |
| Heavy Atoms | 32 |
| Complexity | 679.0148 |
Chemical Identifiers
| CAS Number | 77562-88-0 |
|---|---|
| SMILES | CCCCC1CN(CCN1CC(C)N)C2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
C17H29N3.2C2H2O4.1/2H2O (CAS 77562-88-0), with molecular formula C21H33N3O8 and molecular weight 455.23 g/mol. IUPAC: 1-(2-butyl-4-phenylpiperazin-1-yl)propan-2-amine;oxalic acid.
Chemical Property Profile of C17H29N3.2C2H2O4.1/2H2O
Property Insights of C17H29N3.2C2H2O4.1/2H2O
The XLogP value of 1.0258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H29N3.2C2H2O4.1/2H2O. The TPSA of 181.7 Ų indicates high polarity, suggesting C17H29N3.2C2H2O4.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C17H29N3.2C2H2O4.1/2H2O has 5 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 C17H29N3.2C2H2O4.1/2H2O?
The CAS number of C17H29N3.2C2H2O4.1/2H2O is 77562-88-0.
What is the molecular formula of C17H29N3.2C2H2O4.1/2H2O?
The molecular formula of C17H29N3.2C2H2O4.1/2H2O is C21H33N3O8.
What is the molecular weight of C17H29N3.2C2H2O4.1/2H2O?
The molecular weight of C17H29N3.2C2H2O4.1/2H2O is 455.23 g/mol.
Where can I buy C17H29N3.2C2H2O4.1/2H2O?
You can request a quote for C17H29N3.2C2H2O4.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H29N3.2C2H2O4.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C17H29N3.2C2H2O4.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.