5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one
TL;DR: 5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one (CAS 303121-05-3) is a chemical compound with molecular formula C9H10BrN3O and molecular weight 255.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-6-bromo-1,3-dimethylbenzimidazol-2-one
Also Known As: Ramelteon, 5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one, 5-amino-6-bromo-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one, 5-Amino-6-bromo-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one, 5-amino-6-bromo-1,3-dimethylbenzimidazol-2-one
| Molecular Formula | C9H10BrN3O |
|---|---|
| Molecular Weight | 255.00 g/mol |
| LogP | 1.2217 |
| Topological Polar Surface Area | 52.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 255.00072 |
| Heavy Atoms | 14 |
| Complexity | 519.42126 |
Chemical Identifiers
| CAS Number | 303121-05-3 |
|---|---|
| SMILES | CN1C2=C(C=C(C(=C2)N)Br)N(C1=O)C |
Product Overview
5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one (CAS 303121-05-3), with molecular formula C9H10BrN3O and molecular weight 255.00 g/mol. IUPAC: 5-amino-6-bromo-1,3-dimethylbenzimidazol-2-one.
Chemical Property Profile of 5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one
Property Insights of 5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one
The XLogP value of 1.2217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one. With a topological polar surface area (TPSA) of 52.95 Ų, 5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-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-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one?
The CAS number of 5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one is 303121-05-3.
What is the molecular formula of 5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one?
The molecular formula of 5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one is C9H10BrN3O.
What is the molecular weight of 5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one?
The molecular weight of 5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one is 255.00 g/mol.
Where can I buy 5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one?
You can request a quote for 5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-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-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-6-bromo-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.