5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
TL;DR: 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one (CAS 53595-98-5) is a chemical compound with molecular formula C9H11N3O and molecular weight 177.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1,3-dimethylbenzimidazol-2-one
Also Known As: 5-amino-1,3-dimethylbenzimidazol-2-one, 5-amino-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one, 5-Amino-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one, 5-Amino-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one, TIMTEC-BB SBB010610
| Molecular Formula | C9H11N3O |
|---|---|
| Molecular Weight | 177.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.09021 |
| Heavy Atoms | 13 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 53595-98-5 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)N)N(C1=O)C |
| InChIKey | JHKRQZQRGCCWOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one (CAS 53595-98-5), with molecular formula C9H11N3O and molecular weight 177.09 g/mol. IUPAC: 5-amino-1,3-dimethylbenzimidazol-2-one.
Chemical Property Profile of 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
Property Insights of 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one. With a topological polar surface area (TPSA) of 49.6 Ų, 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-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 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one?
The CAS number of 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one is 53595-98-5.
What is the molecular formula of 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one?
The molecular formula of 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one is C9H11N3O.
What is the molecular weight of 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one?
The molecular weight of 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one is 177.09 g/mol.
Where can I buy 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one?
You can request a quote for 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.