RefChem:377725
TL;DR: RefChem:377725 (CAS 79513-54-5) is a chemical compound with molecular formula C15H20N4O4S and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;3-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)propanenitrile
Also Known As: C14H16N4O.CH4O3S.1/2H2O, C14-H16-N4-O.C-H4-O3-S.1/2H2-O, Pyrimido(1,2-a)benzimidazole-1-propionitrile, 1,2,3,4-tetrahydro-8-methoxy-, methanesulfonate, hemihydrate, Methanesulfonic acid--3-(8-methoxy-3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-1(2H)-yl)propanenitrile (1/1), methanesulfonic acid; 3-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)propanenitrile
| Molecular Formula | C15H20N4O4S |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 1.67268 |
| Topological Polar Surface Area | 108.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.1205 |
| Heavy Atoms | 24 |
| Complexity | 846.2166 |
Chemical Identifiers
| CAS Number | 79513-54-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N3CCCN(C3=N2)CCC#N.CS(=O)(=O)O |
Product Overview
RefChem:377725 (CAS 79513-54-5), with molecular formula C15H20N4O4S and molecular weight 352.12 g/mol. IUPAC: methanesulfonic acid;3-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)propanenitrile.
Chemical Property Profile of RefChem:377725
Property Insights of RefChem:377725
The XLogP value of 1.67268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:377725. The TPSA of 108.45 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:377725. Following Lipinski's Rule of Five, RefChem:377725 has 1 hydrogen bond donor(s) and 6 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:377725?
The CAS number of RefChem:377725 is 79513-54-5.
What is the molecular formula of RefChem:377725?
The molecular formula of RefChem:377725 is C15H20N4O4S.
What is the molecular weight of RefChem:377725?
The molecular weight of RefChem:377725 is 352.12 g/mol.
Where can I buy RefChem:377725?
You can request a quote for RefChem:377725 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377725?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377725 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.