RefChem:268479
TL;DR: RefChem:268479 (CAS 79759-57-2) is a chemical compound with molecular formula C15H15Cl2N3O and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-aminoethyl)-5-chloro-3-phenylbenzimidazol-2-one;hydrochloride
Also Known As: 1-Aminoethyl-3-phenyl-5-chloro-benzimidazolin-2-one hydrochloride, 2H-Benzimidazol-2-one, 1,3-dihydro-1-(2-aminoethyl)-5-chloro-3-phenyl-, monohydrochloride, 1,3-Dihydro-1-(2-aminoethyl)-5-chloro-3-phenyl-2H-benzimidazol-2-one monohydrochloride, 1-(2-aminoethyl)-5-chloro-3-phenylbenzimidazol-2-one hydrochloride, 1-(2-Aminoethyl)-5-chloro-3-phenyl-1,3-dihydro-2H-1,3-benzimidazol-2-one--hydrogen chloride (1/1)
| Molecular Formula | C15H15Cl2N3O |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 2.8261 |
| Topological Polar Surface Area | 52.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.0592 |
| Heavy Atoms | 21 |
| Complexity | 808.89197 |
Chemical Identifiers
| CAS Number | 79759-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=CC(=C3)Cl)N(C2=O)CCN.Cl |
Product Overview
RefChem:268479 (CAS 79759-57-2), with molecular formula C15H15Cl2N3O and molecular weight 323.06 g/mol. IUPAC: 1-(2-aminoethyl)-5-chloro-3-phenylbenzimidazol-2-one;hydrochloride.
Chemical Property Profile of RefChem:268479
Property Insights of RefChem:268479
The XLogP value of 2.8261 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:268479. With a topological polar surface area (TPSA) of 52.95 Ų, RefChem:268479 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:268479 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 RefChem:268479?
The CAS number of RefChem:268479 is 79759-57-2.
What is the molecular formula of RefChem:268479?
The molecular formula of RefChem:268479 is C15H15Cl2N3O.
What is the molecular weight of RefChem:268479?
The molecular weight of RefChem:268479 is 323.06 g/mol.
Where can I buy RefChem:268479?
You can request a quote for RefChem:268479 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268479?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268479 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.