Bufothionine
TL;DR: Bufothionine (CAS 475-39-8) is a chemical compound with molecular formula C12H15N2O3S+ and molecular weight 267.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7,7-dimethyl-2-aza-7-azoniatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-9-yl) hydrogen sulfite
Also Known As: Bufothionine, (7,7-dimethyl-2-aza-7-azoniatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-9-yl) hydrogen sulfite, RefChem:1092663
| Molecular Formula | C12H15N2O3S+ |
|---|---|
| Molecular Weight | 267.08 g/mol |
| LogP | 1.8064 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.08035 |
| Heavy Atoms | 18 |
| Complexity | 648.0551 |
Chemical Identifiers
| CAS Number | 475-39-8 |
|---|---|
| SMILES | C[N+]1(CCC2=CNC3=C2C1=C(C=C3)OS(=O)O)C |
Product Overview
Bufothionine (CAS 475-39-8), with molecular formula C12H15N2O3S+ and molecular weight 267.08 g/mol. IUPAC: (7,7-dimethyl-2-aza-7-azoniatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-9-yl) hydrogen sulfite.
Chemical Property Profile of Bufothionine
Property Insights of Bufothionine
The XLogP value of 1.8064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bufothionine. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Bufothionine. Following Lipinski's Rule of Five, Bufothionine has 2 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 Bufothionine?
The CAS number of Bufothionine is 475-39-8.
What is the molecular formula of Bufothionine?
The molecular formula of Bufothionine is C12H15N2O3S+.
What is the molecular weight of Bufothionine?
The molecular weight of Bufothionine is 267.08 g/mol.
Where can I buy Bufothionine?
You can request a quote for Bufothionine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bufothionine?
Yes, KEHONG BIO provides custom synthesis services for Bufothionine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.