C21H29N3.2C2H2O4.1/2H2O
TL;DR: C21H29N3.2C2H2O4.1/2H2O (CAS 77562-92-6) is a chemical compound with molecular formula C25H33N3O8 and molecular weight 503.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]aniline
Also Known As: C21H29N3.2C2H2O4.1/2H2O, N-(1-Methyl-2-(4-phenethylpiperazino)ethyl)aniline oxalate hydrate (2:4:1), C21-H29-N3.2C2-H2-O4.1/2H2-O, 1-Piperazineethanamine, alpha-methyl-N-phenyl-4-(2-phenylethyl)-, ethanedioate, hydrate (2:4:1), oxalic acid; N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]aniline
| Molecular Formula | C25H33N3O8 |
|---|---|
| Molecular Weight | 503.23 g/mol |
| LogP | 1.6585 |
| Topological Polar Surface Area | 167.71 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.22678 |
| Heavy Atoms | 36 |
| Complexity | 900.2914 |
Chemical Identifiers
| CAS Number | 77562-92-6 |
|---|---|
| SMILES | CC(CN1CCN(CC1)CCC2=CC=CC=C2)NC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
C21H29N3.2C2H2O4.1/2H2O (CAS 77562-92-6), with molecular formula C25H33N3O8 and molecular weight 503.23 g/mol. IUPAC: oxalic acid;N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]aniline.
Chemical Property Profile of C21H29N3.2C2H2O4.1/2H2O
Property Insights of C21H29N3.2C2H2O4.1/2H2O
The XLogP value of 1.6585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H29N3.2C2H2O4.1/2H2O. The TPSA of 167.71 Ų indicates high polarity, suggesting C21H29N3.2C2H2O4.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C21H29N3.2C2H2O4.1/2H2O has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C21H29N3.2C2H2O4.1/2H2O?
The CAS number of C21H29N3.2C2H2O4.1/2H2O is 77562-92-6.
What is the molecular formula of C21H29N3.2C2H2O4.1/2H2O?
The molecular formula of C21H29N3.2C2H2O4.1/2H2O is C25H33N3O8.
What is the molecular weight of C21H29N3.2C2H2O4.1/2H2O?
The molecular weight of C21H29N3.2C2H2O4.1/2H2O is 503.23 g/mol.
Where can I buy C21H29N3.2C2H2O4.1/2H2O?
You can request a quote for C21H29N3.2C2H2O4.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H29N3.2C2H2O4.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C21H29N3.2C2H2O4.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.