Bufenadrine
TL;DR: Bufenadrine (CAS 604-74-0) is a chemical compound with molecular formula C21H29NO and molecular weight 311.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
Also Known As: Bufenadrine, Bufenadrina, Buphenadrin, Bufenadrinum, Bufenadrine [INN]
| Molecular Formula | C21H29NO |
|---|---|
| Molecular Weight | 311.22 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.2249 |
| Heavy Atoms | 23 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 604-74-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C |
| InChIKey | OGNRRAFRDFGFKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bufenadrine (CAS 604-74-0), with molecular formula C21H29NO and molecular weight 311.22 g/mol. IUPAC: 2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine.
Chemical Property Profile of Bufenadrine
Property Insights of Bufenadrine
The XLogP value of 5.1 indicates that Bufenadrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Bufenadrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bufenadrine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bufenadrine?
The CAS number of Bufenadrine is 604-74-0.
What is the molecular formula of Bufenadrine?
The molecular formula of Bufenadrine is C21H29NO.
What is the molecular weight of Bufenadrine?
The molecular weight of Bufenadrine is 311.22 g/mol.
Where can I buy Bufenadrine?
You can request a quote for Bufenadrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bufenadrine?
Yes, KEHONG BIO provides custom synthesis services for Bufenadrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.