1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one
TL;DR: 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one (CAS 129138-59-6) is a chemical compound with molecular formula C12H16Cl2N2O and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanone
Also Known As: Ketoclenbutero, Clenbuterol Impurity B, Clenbuterol EP Impurity B, Clenbuterol impurity B CRS, 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanone
| Molecular Formula | C12H16Cl2N2O |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 3.1464 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.06396 |
| Heavy Atoms | 17 |
| Complexity | 415.61716 |
Chemical Identifiers
| CAS Number | 129138-59-6 |
|---|---|
| SMILES | CC(C)(C)NCC(=O)C1=CC(=C(C(=C1)Cl)N)Cl |
Product Overview
1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one (CAS 129138-59-6), with molecular formula C12H16Cl2N2O and molecular weight 274.06 g/mol. IUPAC: 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanone.
Chemical Property Profile of 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one
Property Insights of 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one
The XLogP value of 3.1464 indicates that 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one has 2 hydrogen bond donor(s) and 3 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 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one?
The CAS number of 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one is 129138-59-6.
What is the molecular formula of 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one?
The molecular formula of 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one is C12H16Cl2N2O.
What is the molecular weight of 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one?
The molecular weight of 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one is 274.06 g/mol.
Where can I buy 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one?
You can request a quote for 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.