Butamoxan
TL;DR: Butamoxan (CAS 4442-60-8) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)butan-1-amine
Also Known As: Butamoxane, Btuamoxane, Butamoxan, Butamoxanum, Butamoxano
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 4442-60-8 |
|---|---|
| SMILES | CCCCNCC1COC2=CC=CC=C2O1 |
| InChIKey | ODRQYAHPAJZPQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butamoxan (CAS 4442-60-8), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)butan-1-amine.
Chemical Property Profile of Butamoxan
Property Insights of Butamoxan
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butamoxan. With a topological polar surface area (TPSA) of 30.5 Ų, Butamoxan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butamoxan has 1 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 Butamoxan?
The CAS number of Butamoxan is 4442-60-8.
What is the molecular formula of Butamoxan?
The molecular formula of Butamoxan is C13H19NO2.
What is the molecular weight of Butamoxan?
The molecular weight of Butamoxan is 221.14 g/mol.
Where can I buy Butamoxan?
You can request a quote for Butamoxan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butamoxan?
Yes, KEHONG BIO provides custom synthesis services for Butamoxan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.