![3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one structure](/static/products/3420/342045-98-1.webp)
3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one
TL;DR: 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one (CAS 342045-98-1) is a chemical compound with molecular formula C10H13N3O and molecular weight 191.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,6,7,8,9-hexahydro-1H-pyrimido[1,2-a]benzimidazol-2-one
Also Known As: 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one, AE-641/10125029, F1913-0063, 1,8,10-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),8-dien-11-one
| Molecular Formula | C10H13N3O |
|---|---|
| Molecular Weight | 191.11 g/mol |
| LogP | 1.1041 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.10587 |
| Heavy Atoms | 14 |
| Complexity | 394.31653 |
Chemical Identifiers
| CAS Number | 342045-98-1 |
|---|---|
| SMILES | C1CCC2=C(C1)N=C3N2CCC(=O)N3 |
Product Overview
3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one (CAS 342045-98-1), with molecular formula C10H13N3O and molecular weight 191.11 g/mol. IUPAC: 3,4,6,7,8,9-hexahydro-1H-pyrimido[1,2-a]benzimidazol-2-one.
Chemical Property Profile of 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one
Property Insights of 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one
The XLogP value of 1.1041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one. With a topological polar surface area (TPSA) of 46.92 Ų, 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one has 1 hydrogen bond donor(s) and 2 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 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one?
The CAS number of 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one is 342045-98-1.
What is the molecular formula of 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one?
The molecular formula of 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one is C10H13N3O.
What is the molecular weight of 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one?
The molecular weight of 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one is 191.11 g/mol.
Where can I buy 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one?
You can request a quote for 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4,6,7,8,9-hexahydropyrimido[1,2-a]benzimidazol-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.