RefChem:1090997
TL;DR: RefChem:1090997 (CAS 77985-17-2) is a chemical compound with molecular formula C14H22Cl2N2O and molecular weight 304.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-chloro-6-methylanilino)-1-oxobutan-2-yl]-propylazanium chloride
Also Known As: 6'-Chloro-2-(propylamino)-o-butyrotoluidide hydrochloride, [1-(2-chloro-6-methylanilino)-1-oxobutan-2-yl]-propylazanium chloride, o-BUTYROTOLUIDIDE, 6'-CHLORO-2-(PROPYLAMINO)-, HYDROCHLORIDE, Butanamide, N-(2-chloro-6-methylphenyl)-2-(propylamino)-, monohydrochloride, N-(2-Chloro-6-methylphenyl)-2-(propylamino)butanimidic acid--hydrogen chloride (1/1)
| Molecular Formula | C14H22Cl2N2O |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | -0.66 |
| Topological Polar Surface Area | 45.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.11093 |
| Heavy Atoms | 19 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 77985-17-2 |
|---|---|
| SMILES | CCC[NH2+]C(CC)C(=O)NC1=C(C=CC=C1Cl)C.[Cl-] |
| InChIKey | BDCFRQJLCIAEOS-UHFFFAOYSA-N |
Product Overview
RefChem:1090997 (CAS 77985-17-2), with molecular formula C14H22Cl2N2O and molecular weight 304.11 g/mol. IUPAC: [1-(2-chloro-6-methylanilino)-1-oxobutan-2-yl]-propylazanium chloride.
Chemical Property Profile of RefChem:1090997
Property Insights of RefChem:1090997
The XLogP value of -0.66 indicates that RefChem:1090997 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:1090997 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1090997 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:1090997?
The CAS number of RefChem:1090997 is 77985-17-2.
What is the molecular formula of RefChem:1090997?
The molecular formula of RefChem:1090997 is C14H22Cl2N2O.
What is the molecular weight of RefChem:1090997?
The molecular weight of RefChem:1090997 is 304.11 g/mol.
Where can I buy RefChem:1090997?
You can request a quote for RefChem:1090997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1090997?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1090997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.