C18H29N3O.2C2H2O4.1/2H2O
TL;DR: C18H29N3O.2C2H2O4.1/2H2O (CAS 77869-75-1) is a chemical compound with molecular formula C22H33N3O9 and molecular weight 483.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;N-phenyl-N-[2-(3-propan-2-yl-1,3-diazinan-1-yl)ethyl]propanamide
Also Known As: C18H29N3O.2C2H2O4.1/2H2O, N-(2-(3-Isopropylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate, Propanamide, N-phenyl-N-(2-(tetrahydro-3-(1-methylethyl)-1(2H)-pyrimidinyl)ethyl)-, ethanedioate, hydrate (2:4:1), C18-H29-N3-O.2C2-H2-O4.1/2H2-O, Oxalic acid--N-phenyl-N-{2-[3-(propan-2-yl)-1,3-diazinan-1-yl]ethyl}propanamide (2/1)
| Molecular Formula | C22H33N3O9 |
|---|---|
| Molecular Weight | 483.22 g/mol |
| LogP | 1.1144 |
| Topological Polar Surface Area | 175.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.22168 |
| Heavy Atoms | 34 |
| Complexity | 767.0982 |
Chemical Identifiers
| CAS Number | 77869-75-1 |
|---|---|
| SMILES | CCC(=O)N(CCN1CCCN(C1)C(C)C)C2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
C18H29N3O.2C2H2O4.1/2H2O (CAS 77869-75-1), with molecular formula C22H33N3O9 and molecular weight 483.22 g/mol. IUPAC: oxalic acid;N-phenyl-N-[2-(3-propan-2-yl-1,3-diazinan-1-yl)ethyl]propanamide.
Chemical Property Profile of C18H29N3O.2C2H2O4.1/2H2O
Property Insights of C18H29N3O.2C2H2O4.1/2H2O
The XLogP value of 1.1144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H29N3O.2C2H2O4.1/2H2O. The TPSA of 175.99 Ų indicates high polarity, suggesting C18H29N3O.2C2H2O4.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H29N3O.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 C18H29N3O.2C2H2O4.1/2H2O?
The CAS number of C18H29N3O.2C2H2O4.1/2H2O is 77869-75-1.
What is the molecular formula of C18H29N3O.2C2H2O4.1/2H2O?
The molecular formula of C18H29N3O.2C2H2O4.1/2H2O is C22H33N3O9.
What is the molecular weight of C18H29N3O.2C2H2O4.1/2H2O?
The molecular weight of C18H29N3O.2C2H2O4.1/2H2O is 483.22 g/mol.
Where can I buy C18H29N3O.2C2H2O4.1/2H2O?
You can request a quote for C18H29N3O.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 C18H29N3O.2C2H2O4.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C18H29N3O.2C2H2O4.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.