Butylsympathon
TL;DR: Butylsympathon (CAS 34440-88-5) is a chemical compound with molecular formula C12H18ClNO2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylamino)-1-(4-hydroxyphenyl)ethanone;hydrochloride
Also Known As: Butylsympathon, p-Oxy-butylamino-acetophenone, p-Hydroxyphenyl-n-butylaminomethylketone, 2-(butylamino)-1-(4-hydroxyphenyl)ethanone;hydrochloride, 2-(butylamino)-1-(4-hydroxyphenyl)ethanone hydrochloride
| Molecular Formula | C12H18ClNO2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 2.3864 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 243.1026 |
| Heavy Atoms | 16 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 34440-88-5 |
|---|---|
| SMILES | CCCCNCC(=O)C1=CC=C(C=C1)O.Cl |
| InChIKey | CGKWVBXPIYSYAY-UHFFFAOYSA-N |
Product Overview
Butylsympathon (CAS 34440-88-5), with molecular formula C12H18ClNO2 and molecular weight 243.10 g/mol. IUPAC: 2-(butylamino)-1-(4-hydroxyphenyl)ethanone;hydrochloride.
Chemical Property Profile of Butylsympathon
Property Insights of Butylsympathon
The XLogP value of 2.3864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylsympathon. With a topological polar surface area (TPSA) of 49.3 Ų, Butylsympathon exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylsympathon has 3 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 Butylsympathon?
The CAS number of Butylsympathon is 34440-88-5.
What is the molecular formula of Butylsympathon?
The molecular formula of Butylsympathon is C12H18ClNO2.
What is the molecular weight of Butylsympathon?
The molecular weight of Butylsympathon is 243.10 g/mol.
Where can I buy Butylsympathon?
You can request a quote for Butylsympathon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylsympathon?
Yes, KEHONG BIO provides custom synthesis services for Butylsympathon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.