RefChem:1091001
TL;DR: RefChem:1091001 (CAS 77985-16-1) is a chemical compound with molecular formula C15H24Cl2N2O and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-chloro-6-methylanilino)-4-oxobutan-2-yl]-diethylazanium chloride
Also Known As: 6'-Chloro-3-(diethylamino)-o-butyrotoluidide hydrochloride, [4-(2-chloro-6-methylanilino)-4-oxobutan-2-yl]-diethylazanium chloride, o-BUTYROTOLUIDIDE, 6'-CHLORO-3-(DIETHYLAMINO)-, HYDROCHLORIDE, Butanamide, N-(2-chloro-6-methylphenyl)-3-(diethylamino)-, monohydrochloride, N-(2-Chloro-6-methylphenyl)-3-(diethylamino)butanimidic acid--hydrogen chloride (1/1)
| Molecular Formula | C15H24Cl2N2O |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | -0.71 |
| Topological Polar Surface Area | 33.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.12656 |
| Heavy Atoms | 20 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 77985-16-1 |
|---|---|
| SMILES | CC[NH+](CC)C(C)CC(=O)NC1=C(C=CC=C1Cl)C.[Cl-] |
| InChIKey | CIUYCWJYXIYGEW-UHFFFAOYSA-N |
Product Overview
RefChem:1091001 (CAS 77985-16-1), with molecular formula C15H24Cl2N2O and molecular weight 318.13 g/mol. IUPAC: [4-(2-chloro-6-methylanilino)-4-oxobutan-2-yl]-diethylazanium chloride.
Chemical Property Profile of RefChem:1091001
Property Insights of RefChem:1091001
The XLogP value of -0.71 indicates that RefChem:1091001 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.5 Ų, RefChem:1091001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1091001 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:1091001?
The CAS number of RefChem:1091001 is 77985-16-1.
What is the molecular formula of RefChem:1091001?
The molecular formula of RefChem:1091001 is C15H24Cl2N2O.
What is the molecular weight of RefChem:1091001?
The molecular weight of RefChem:1091001 is 318.13 g/mol.
Where can I buy RefChem:1091001?
You can request a quote for RefChem:1091001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1091001?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1091001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.