RefChem:1061468
TL;DR: RefChem:1061468 (CAS 77966-31-5) is a chemical compound with molecular formula C16H18Cl2N2O and molecular weight 324.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride
Also Known As: 2-(Benzylamino)-6'-chloro-o-acetotoluidide, hydrochloride, o-ACETOTOLUIDIDE, 2-(BENZYLAMINO)-6'-CHLORO-, HYDROCHLORIDE, benzyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride, benzyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium,chloride, BENZYL-[(2-CHLORO-6-METHYL-PHENYL)CARBAMOYLMETHYL]AZANIUM CHLORIDE
| Molecular Formula | C16H18Cl2N2O |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | -0.65 |
| Topological Polar Surface Area | 45.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.07962 |
| Heavy Atoms | 21 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 77966-31-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)C[NH2+]CC2=CC=CC=C2.[Cl-] |
| InChIKey | YOZVWNOMERMCFT-UHFFFAOYSA-N |
Product Overview
RefChem:1061468 (CAS 77966-31-5), with molecular formula C16H18Cl2N2O and molecular weight 324.08 g/mol. IUPAC: benzyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride.
Chemical Property Profile of RefChem:1061468
Property Insights of RefChem:1061468
The XLogP value of -0.65 indicates that RefChem:1061468 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.7 Ų, RefChem:1061468 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061468 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 RefChem:1061468?
The CAS number of RefChem:1061468 is 77966-31-5.
What is the molecular formula of RefChem:1061468?
The molecular formula of RefChem:1061468 is C16H18Cl2N2O.
What is the molecular weight of RefChem:1061468?
The molecular weight of RefChem:1061468 is 324.08 g/mol.
Where can I buy RefChem:1061468?
You can request a quote for RefChem:1061468 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061468?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061468 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.