Hexahydro-2-benzimidazolinone
TL;DR: Hexahydro-2-benzimidazolinone (CAS 1123-97-3) is a chemical compound with molecular formula C7H12N2O and molecular weight 140.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
Also Known As: Hexahydro-2-benzimidazolinone, cis-Octahydro-2H-benzimidazol-2-one, octahydro-2h-benzimidazol-2-one, 2-Benzimidazolinone, hexahydro-, 2H-Benzimidazol-2-one, octahydro-
| Molecular Formula | C7H12N2O |
|---|---|
| Molecular Weight | 140.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.09496 |
| Heavy Atoms | 10 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 1123-97-3 |
|---|---|
| SMILES | C1CCC2C(C1)NC(=O)N2 |
| InChIKey | RWIIUBCMPVZLBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexahydro-2-benzimidazolinone (CAS 1123-97-3), with molecular formula C7H12N2O and molecular weight 140.09 g/mol. IUPAC: 1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one.
Chemical Property Profile of Hexahydro-2-benzimidazolinone
Property Insights of Hexahydro-2-benzimidazolinone
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-2-benzimidazolinone. With a topological polar surface area (TPSA) of 41.1 Ų, Hexahydro-2-benzimidazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-2-benzimidazolinone has 2 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 Hexahydro-2-benzimidazolinone?
The CAS number of Hexahydro-2-benzimidazolinone is 1123-97-3.
What is the molecular formula of Hexahydro-2-benzimidazolinone?
The molecular formula of Hexahydro-2-benzimidazolinone is C7H12N2O.
What is the molecular weight of Hexahydro-2-benzimidazolinone?
The molecular weight of Hexahydro-2-benzimidazolinone is 140.09 g/mol.
Where can I buy Hexahydro-2-benzimidazolinone?
You can request a quote for Hexahydro-2-benzimidazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-2-benzimidazolinone?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-2-benzimidazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.