1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
TL;DR: 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one (CAS 77557-01-8) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propyl-1H-benzimidazol-2-one
Also Known As: 1-Propyl-3H-1,3-benzodiazol-2-one, 3-propyl-1H-benzimidazol-2-one, 1-propyl-1,3-dihydro-2H-benzimidazol-2-one, 1-Propyl-1H-benzo[d]imidazol-2(3H)-one, 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 1.7396 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.09496 |
| Heavy Atoms | 13 |
| Complexity | 466.97464 |
Chemical Identifiers
| CAS Number | 77557-01-8 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2NC1=O |
Product Overview
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one (CAS 77557-01-8), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: 3-propyl-1H-benzimidazol-2-one.
Chemical Property Profile of 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
Property Insights of 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
The XLogP value of 1.7396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one. With a topological polar surface area (TPSA) of 37.79 Ų, 1-propyl-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, 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one has 1 hydrogen bond donor(s) and 1 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-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one?
The CAS number of 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one is 77557-01-8.
What is the molecular formula of 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one?
The molecular formula of 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one is C10H12N2O.
What is the molecular weight of 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one?
The molecular weight of 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one is 176.09 g/mol.
Where can I buy 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one?
You can request a quote for 1-propyl-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 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.