C15H25N3.2C2H2O4.1/2H2O
TL;DR: C15H25N3.2C2H2O4.1/2H2O (CAS 77869-63-7) is a chemical compound with molecular formula C19H29N3O8 and molecular weight 427.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;N-[2-(3-propan-2-yl-1,3-diazinan-1-yl)ethyl]aniline
Also Known As: C15H25N3.2C2H2O4.1/2H2O, N-(2-(3-Isopropylhexahydropyrimidino)ethyl)aniline oxalate hydrate, 1(2H)-Pyrimidineethanamine, tetrahydro-3-(1-methylethyl)-N-phenyl-, ethanedioate, hydrate (2:4:1), C15-H25-N3.2C2-H2-O4.1/2H2-O, oxalic acid; N-[2-(3-propan-2-yl-1,3-diazinan-1-yl)ethyl]aniline
| Molecular Formula | C19H29N3O8 |
|---|---|
| Molecular Weight | 427.20 g/mol |
| LogP | 0.7833 |
| Topological Polar Surface Area | 167.71 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.19547 |
| Heavy Atoms | 30 |
| Complexity | 633.6169 |
Chemical Identifiers
| CAS Number | 77869-63-7 |
|---|---|
| SMILES | CC(C)N1CCCN(C1)CCNC2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
C15H25N3.2C2H2O4.1/2H2O (CAS 77869-63-7), with molecular formula C19H29N3O8 and molecular weight 427.20 g/mol. IUPAC: oxalic acid;N-[2-(3-propan-2-yl-1,3-diazinan-1-yl)ethyl]aniline.
Chemical Property Profile of C15H25N3.2C2H2O4.1/2H2O
Property Insights of C15H25N3.2C2H2O4.1/2H2O
The XLogP value of 0.7833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C15H25N3.2C2H2O4.1/2H2O. The TPSA of 167.71 Ų indicates high polarity, suggesting C15H25N3.2C2H2O4.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C15H25N3.2C2H2O4.1/2H2O 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 C15H25N3.2C2H2O4.1/2H2O?
The CAS number of C15H25N3.2C2H2O4.1/2H2O is 77869-63-7.
What is the molecular formula of C15H25N3.2C2H2O4.1/2H2O?
The molecular formula of C15H25N3.2C2H2O4.1/2H2O is C19H29N3O8.
What is the molecular weight of C15H25N3.2C2H2O4.1/2H2O?
The molecular weight of C15H25N3.2C2H2O4.1/2H2O is 427.20 g/mol.
Where can I buy C15H25N3.2C2H2O4.1/2H2O?
You can request a quote for C15H25N3.2C2H2O4.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H25N3.2C2H2O4.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C15H25N3.2C2H2O4.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.