5-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
TL;DR: 5-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one (CAS 103204-80-4) is a chemical compound with molecular formula C9H7ClN2O2 and molecular weight 210.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloroacetyl)-1,3-dihydrobenzimidazol-2-one
Also Known As: 5-(2-Chloro-acetyl)-1,3-dihydro-benzoimidazol-2-one, 5-(2-chloroacetyl)-1,3-dihydrobenzimidazol-2-one, 3533AF, 5-(2-chloroacetyl)-1H-benzo[d]imidazol-2(3H)-one, 5-(chloroacetyl)-1,3-dihydro-2H-benzimidazol-2-one
| Molecular Formula | C9H7ClN2O2 |
|---|---|
| Molecular Weight | 210.02 g/mol |
| LogP | 1.2777 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.0196 |
| Heavy Atoms | 14 |
| Complexity | 540.9807 |
Chemical Identifiers
| CAS Number | 103204-80-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)CCl)NC(=O)N2 |
Product Overview
5-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one (CAS 103204-80-4), with molecular formula C9H7ClN2O2 and molecular weight 210.02 g/mol. IUPAC: 5-(2-chloroacetyl)-1,3-dihydrobenzimidazol-2-one.
Chemical Property Profile of 5-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
Property Insights of 5-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
The XLogP value of 1.2777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one. Following Lipinski's Rule of Five, 5-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one has 2 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-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one?
The CAS number of 5-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one is 103204-80-4.
What is the molecular formula of 5-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one?
The molecular formula of 5-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one is C9H7ClN2O2.
What is the molecular weight of 5-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one?
The molecular weight of 5-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one is 210.02 g/mol.
Where can I buy 5-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one?
You can request a quote for 5-(2-chloroacetyl)-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-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-chloroacetyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.