BS 6534
TL;DR: BS 6534 (CAS 5697-60-9) is a chemical compound with molecular formula C21H30ClNO and molecular weight 347.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-tert-butylphenyl)-phenylmethoxy]ethyl-dimethylazanium chloride
Also Known As: Bufenadrine hydrochloride, BS 6534, Bufenadrine hydrochloride, (+)-, Bufenadrine hydrochloride, (-)-, 2-((o-tert-Butyl-alpha-phenylbenzyl)oxy)-N,N-dimethyl-ethylamine hydrochloride
| Molecular Formula | C21H30ClNO |
|---|---|
| Molecular Weight | 347.20 g/mol |
| LogP | 0.24 |
| Topological Polar Surface Area | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.2016 |
| Heavy Atoms | 24 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 5697-60-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1C(C2=CC=CC=C2)OCC[NH+](C)C.[Cl-] |
| InChIKey | JJPFUNXMPATRID-UHFFFAOYSA-N |
Product Overview
BS 6534 (CAS 5697-60-9), with molecular formula C21H30ClNO and molecular weight 347.20 g/mol. IUPAC: 2-[(2-tert-butylphenyl)-phenylmethoxy]ethyl-dimethylazanium chloride.
Chemical Property Profile of BS 6534
Property Insights of BS 6534
The XLogP value of 0.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BS 6534. With a topological polar surface area (TPSA) of 13.7 Ų, BS 6534 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BS 6534 has 1 hydrogen bond donor(s) and 2 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 BS 6534?
The CAS number of BS 6534 is 5697-60-9.
What is the molecular formula of BS 6534?
The molecular formula of BS 6534 is C21H30ClNO.
What is the molecular weight of BS 6534?
The molecular weight of BS 6534 is 347.20 g/mol.
Where can I buy BS 6534?
You can request a quote for BS 6534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BS 6534?
Yes, KEHONG BIO provides custom synthesis services for BS 6534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.