Choline, bromide, 10-phenothiazinecarboxylate
TL;DR: Choline, bromide, 10-phenothiazinecarboxylate (CAS 110061-60-4) is a chemical compound with molecular formula C18H21BrN2O2S and molecular weight 408.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-(phenothiazine-10-carbonyloxy)ethyl]azanium bromide
Also Known As: Choline bromide, phenothiazine-10-carboxylate, Phenothiazincarbonsaeure-cholinesterbromid, Choline, bromide, 10-phenothiazinecarboxylate, Phenothiazincarbonsaeure-cholinesterbromid [German], Cholinebromide,phenothiazine-10-carboxylate (6CI)
| Molecular Formula | C18H21BrN2O2S |
|---|---|
| Molecular Weight | 408.05 g/mol |
| LogP | 1.1361 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.05072 |
| Heavy Atoms | 24 |
| Complexity | 685.45386 |
Chemical Identifiers
| CAS Number | 110061-60-4 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.[Br-] |
Product Overview
Choline, bromide, 10-phenothiazinecarboxylate (CAS 110061-60-4), with molecular formula C18H21BrN2O2S and molecular weight 408.05 g/mol. IUPAC: trimethyl-[2-(phenothiazine-10-carbonyloxy)ethyl]azanium bromide.
Chemical Property Profile of Choline, bromide, 10-phenothiazinecarboxylate
Property Insights of Choline, bromide, 10-phenothiazinecarboxylate
The XLogP value of 1.1361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Choline, bromide, 10-phenothiazinecarboxylate. With a topological polar surface area (TPSA) of 29.54 Ų, Choline, bromide, 10-phenothiazinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Choline, bromide, 10-phenothiazinecarboxylate has 0 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 Choline, bromide, 10-phenothiazinecarboxylate?
The CAS number of Choline, bromide, 10-phenothiazinecarboxylate is 110061-60-4.
What is the molecular formula of Choline, bromide, 10-phenothiazinecarboxylate?
The molecular formula of Choline, bromide, 10-phenothiazinecarboxylate is C18H21BrN2O2S.
What is the molecular weight of Choline, bromide, 10-phenothiazinecarboxylate?
The molecular weight of Choline, bromide, 10-phenothiazinecarboxylate is 408.05 g/mol.
Where can I buy Choline, bromide, 10-phenothiazinecarboxylate?
You can request a quote for Choline, bromide, 10-phenothiazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Choline, bromide, 10-phenothiazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Choline, bromide, 10-phenothiazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.