RefChem:377704
TL;DR: RefChem:377704 (CAS 79513-73-8) is a chemical compound with molecular formula C20H28N4O9 and molecular weight 468.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-8-ol;oxalic acid
Also Known As: Pyrimido(1,2-a)benzimidazol-8-ol, 1,2,3,4-tetrahydro-1-(2-(diethylamino)ethyl)-, bisoxalate, monohydrate, 1-(2-diethylaminoethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-8-ol; oxalic acid, Oxalic acid--1-[2-(diethylamino)ethyl]-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazol-8-ol (2/1), RefChem:377704
| Molecular Formula | C20H28N4O9 |
|---|---|
| Molecular Weight | 468.19 g/mol |
| LogP | 0.605 |
| Topological Polar Surface Area | 193.73 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.18564 |
| Heavy Atoms | 33 |
| Complexity | 937.3159 |
Chemical Identifiers
| CAS Number | 79513-73-8 |
|---|---|
| SMILES | CCN(CC)CCN1CCCN2C1=NC3=C2C=CC(=C3)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
RefChem:377704 (CAS 79513-73-8), with molecular formula C20H28N4O9 and molecular weight 468.19 g/mol. IUPAC: 1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-8-ol;oxalic acid.
Chemical Property Profile of RefChem:377704
Property Insights of RefChem:377704
The XLogP value of 0.605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:377704. The TPSA of 193.73 Ų indicates high polarity, suggesting RefChem:377704 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:377704 has 5 hydrogen bond donor(s) and 8 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 RefChem:377704?
The CAS number of RefChem:377704 is 79513-73-8.
What is the molecular formula of RefChem:377704?
The molecular formula of RefChem:377704 is C20H28N4O9.
What is the molecular weight of RefChem:377704?
The molecular weight of RefChem:377704 is 468.19 g/mol.
Where can I buy RefChem:377704?
You can request a quote for RefChem:377704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377704?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.