1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl-
TL;DR: 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl- (CAS 87575-61-9) is a chemical compound with molecular formula C13H16N4O and molecular weight 244.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2,2-dimethyl-1H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
Also Known As: 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl-, 3-ethyl-2,2-dimethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one, 1,2-Dihydro-2,2-dimethyl-3-ethyl-1,3,5-triazino[1,2-a]benzimidazol-4(3H)-one, 3-Ethyl-2,2-dimethyl-2,10-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-4(3H)-one
| Molecular Formula | C13H16N4O |
|---|---|
| Molecular Weight | 244.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.13242 |
| Heavy Atoms | 18 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 87575-61-9 |
|---|---|
| SMILES | CCN1C(=O)N2C3=CC=CC=C3N=C2NC1(C)C |
| InChIKey | DABFVDHNFZYFNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl- (CAS 87575-61-9), with molecular formula C13H16N4O and molecular weight 244.13 g/mol. IUPAC: 3-ethyl-2,2-dimethyl-1H-[1,3,5]triazino[1,2-a]benzimidazol-4-one.
Chemical Property Profile of 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl-
Property Insights of 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl-. With a topological polar surface area (TPSA) of 50.2 Ų, 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl- has 1 hydrogen bond donor(s) and 3 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 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl-?
The CAS number of 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl- is 87575-61-9.
What is the molecular formula of 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl-?
The molecular formula of 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl- is C13H16N4O.
What is the molecular weight of 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl-?
The molecular weight of 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl- is 244.13 g/mol.
Where can I buy 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl-?
You can request a quote for 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Triazino(1,2-a)benzimidazol-4(1H)-one, 3-ethyl-2,3-dihydro-2,2-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.