RefChem:377712
TL;DR: RefChem:377712 (CAS 79513-45-4) is a chemical compound with molecular formula C22H40Cl3N5O and molecular weight 495.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[8-[2-(diethylamino)ethoxy]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl]-N,N-diethylethanamine;trihydrochloride
Also Known As: Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-8-(2-(diethylamino)ethoxy)-1-(2-(diethylamino)ethyl)-, trihydrochloride, monohydrate, 2-[8-(2-diethylaminoethyloxy)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl]-N,N-diethylethanamine trihydrochloride, 2-{8-[2-(Diethylamino)ethoxy]-3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-1(2H)-yl}-N,N-diethylethan-1-amine--hydrogen chloride (1/3), RefChem:377712
| Molecular Formula | C22H40Cl3N5O |
|---|---|
| Molecular Weight | 495.23 g/mol |
| LogP | 4.5742 |
| Topological Polar Surface Area | 36.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 495.22986 |
| Heavy Atoms | 31 |
| Complexity | 750.0668 |
Chemical Identifiers
| CAS Number | 79513-45-4 |
|---|---|
| SMILES | CCN(CC)CCN1CCCN2C1=NC3=C2C=CC(=C3)OCCN(CC)CC.Cl.Cl.Cl |
Product Overview
RefChem:377712 (CAS 79513-45-4), with molecular formula C22H40Cl3N5O and molecular weight 495.23 g/mol. IUPAC: 2-[8-[2-(diethylamino)ethoxy]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl]-N,N-diethylethanamine;trihydrochloride.
Chemical Property Profile of RefChem:377712
Property Insights of RefChem:377712
The XLogP value of 4.5742 indicates that RefChem:377712 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.77 Ų, RefChem:377712 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:377712 has 0 hydrogen bond donor(s) and 5 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:377712?
The CAS number of RefChem:377712 is 79513-45-4.
What is the molecular formula of RefChem:377712?
The molecular formula of RefChem:377712 is C22H40Cl3N5O.
What is the molecular weight of RefChem:377712?
The molecular weight of RefChem:377712 is 495.23 g/mol.
Where can I buy RefChem:377712?
You can request a quote for RefChem:377712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377712?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.