Butyroxan
TL;DR: Butyroxan (CAS 7451-60-7) is a chemical compound with molecular formula C22H26ClNO3 and molecular weight 387.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butan-1-one;hydrochloride
Also Known As: Butyroxan, Butyroxane, BUTYROXAN [WHO-DD], 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butan-1-one hydrochloride(1:1), omega-(3'-Phenyl-1'-pyrrolidinyl)-6-butyrylbenzo(1,4)dioxane
| Molecular Formula | C22H26ClNO3 |
|---|---|
| Molecular Weight | 387.16 g/mol |
| LogP | 4.332 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.16013 |
| Heavy Atoms | 27 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 7451-60-7 |
|---|---|
| SMILES | C1CN(CC1C2=CC=CC=C2)CCCC(=O)C3=CC4=C(C=C3)OCCO4.Cl |
| InChIKey | BTRGVHPVVGPXPP-UHFFFAOYSA-N |
Product Overview
Butyroxan (CAS 7451-60-7), with molecular formula C22H26ClNO3 and molecular weight 387.16 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butan-1-one;hydrochloride.
Chemical Property Profile of Butyroxan
Property Insights of Butyroxan
The XLogP value of 4.332 indicates that Butyroxan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Butyroxan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyroxan has 1 hydrogen bond donor(s) and 4 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 Butyroxan?
The CAS number of Butyroxan is 7451-60-7.
What is the molecular formula of Butyroxan?
The molecular formula of Butyroxan is C22H26ClNO3.
What is the molecular weight of Butyroxan?
The molecular weight of Butyroxan is 387.16 g/mol.
Where can I buy Butyroxan?
You can request a quote for Butyroxan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyroxan?
Yes, KEHONG BIO provides custom synthesis services for Butyroxan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.