2-Bromo-6'-chloro-ortho-butyrotoluidide
TL;DR: 2-Bromo-6'-chloro-ortho-butyrotoluidide (CAS 195372-60-2) is a chemical compound with molecular formula C11H13BrClNO and molecular weight 288.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-(2-chloro-6-methylphenyl)butanamide
Also Known As: 2-BROMO-6'-CHLORO-ORTHO-BUTYROTOLUIDIDE, 2-bromo-N-(2-chloro-6-methylphenyl)butanamide
| Molecular Formula | C11H13BrClNO |
|---|---|
| Molecular Weight | 288.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.9869 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 195372-60-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=C(C=CC=C1Cl)C)Br |
| InChIKey | XJNXEWLGGWKBPT-UHFFFAOYSA-N |
Product Overview
2-Bromo-6'-chloro-ortho-butyrotoluidide (CAS 195372-60-2), with molecular formula C11H13BrClNO and molecular weight 288.99 g/mol. IUPAC: 2-bromo-N-(2-chloro-6-methylphenyl)butanamide.
Chemical Property Profile of 2-Bromo-6'-chloro-ortho-butyrotoluidide
Property Insights of 2-Bromo-6'-chloro-ortho-butyrotoluidide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-6'-chloro-ortho-butyrotoluidide. With a topological polar surface area (TPSA) of 29.1 Ų, 2-Bromo-6'-chloro-ortho-butyrotoluidide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-6'-chloro-ortho-butyrotoluidide has 1 hydrogen bond donor(s) and 1 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 2-Bromo-6'-chloro-ortho-butyrotoluidide?
The CAS number of 2-Bromo-6'-chloro-ortho-butyrotoluidide is 195372-60-2.
What is the molecular formula of 2-Bromo-6'-chloro-ortho-butyrotoluidide?
The molecular formula of 2-Bromo-6'-chloro-ortho-butyrotoluidide is C11H13BrClNO.
What is the molecular weight of 2-Bromo-6'-chloro-ortho-butyrotoluidide?
The molecular weight of 2-Bromo-6'-chloro-ortho-butyrotoluidide is 288.99 g/mol.
Where can I buy 2-Bromo-6'-chloro-ortho-butyrotoluidide?
You can request a quote for 2-Bromo-6'-chloro-ortho-butyrotoluidide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-6'-chloro-ortho-butyrotoluidide?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-6'-chloro-ortho-butyrotoluidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.