o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride
TL;DR: o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride (CAS 78218-36-7) 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.
3-(butylamino)-N-(2-chloro-6-methylphenyl)propanamide;hydrochloride
Also Known As: o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride, 3-(Butylamino)-6'-chloro-o-propionotoluidide hydrochloride, 3-(butylamino)-N-(2-chloro-6-methylphenyl)propanamide hydrochloride, N~3~-Butyl-N-(2-chloro-6-methylphenyl)-beta-alaninamide--hydrogen chloride (1/1), Propanamide, 3-(butylamino)-N-(2-chloro-6-methylphenyl)-, monohydrochloride
| Molecular Formula | C14H22Cl2N2O |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | 3.78852 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 304.11093 |
| Heavy Atoms | 19 |
| Complexity | 376.7824 |
Chemical Identifiers
| CAS Number | 78218-36-7 |
|---|---|
| SMILES | CCCCNCCC(=O)NC1=C(C=CC=C1Cl)C.Cl |
Product Overview
o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride (CAS 78218-36-7), with molecular formula C14H22Cl2N2O and molecular weight 304.11 g/mol. IUPAC: 3-(butylamino)-N-(2-chloro-6-methylphenyl)propanamide;hydrochloride.
Chemical Property Profile of o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride
Property Insights of o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride
The XLogP value of 3.78852 indicates that o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride 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 o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride?
The CAS number of o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride is 78218-36-7.
What is the molecular formula of o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride?
The molecular formula of o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride is C14H22Cl2N2O.
What is the molecular weight of o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride?
The molecular weight of o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride is 304.11 g/mol.
Where can I buy o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride?
You can request a quote for o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for o-Propionotoluidide, 3-(butylamino)-6'-chloro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.