2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)-
TL;DR: 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)- (CAS 61727-68-2) is a chemical compound with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-chloro-4-(4-hydroxyphenyl)butan-2-one
Also Known As: 3-amino-1-chloro-4-(4-hydroxyphenyl)butan-2-one, 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)-
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.05565 |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 61727-68-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(=O)CCl)N)O |
| InChIKey | QJPLGQKJPGQCIA-UHFFFAOYSA-N |
Product Overview
2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)- (CAS 61727-68-2), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: 3-amino-1-chloro-4-(4-hydroxyphenyl)butan-2-one.
Chemical Property Profile of 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)-
Property Insights of 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)-. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)-. Following Lipinski's Rule of Five, 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)- 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 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)-?
The CAS number of 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)- is 61727-68-2.
What is the molecular formula of 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)-?
The molecular formula of 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)- is C10H12ClNO2.
What is the molecular weight of 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)-?
The molecular weight of 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)- is 213.06 g/mol.
Where can I buy 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)-?
You can request a quote for 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 3-amino-1-chloro-4-(4-hydroxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.