Duo-tran
TL;DR: Duo-tran (CAS 76404-06-3) is a chemical compound with molecular formula C52H60BrClN4O5S and molecular weight 966.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;[8-methyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;bromide
Also Known As: Duo-tran, 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol,[8-methyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate,bromide, 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol; [8-methyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate; bromide, 8-[2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl]-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide--2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol (1/1/1), 8-[2-(biphenyl-4-yl)-2-oxoethyl]-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane bromide- 2-{4-[3-(2-chloro-10h-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol(1:1:1)
| Molecular Formula | C52H60BrClN4O5S |
|---|---|
| Molecular Weight | 966.32 g/mol |
| LogP | 5.9423 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 966.3156 |
| Heavy Atoms | 64 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 76404-06-3 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5.C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.[Br-] |
| InChIKey | HJVNWGRHVLCOTL-UHFFFAOYSA-M |
Product Overview
Duo-tran (CAS 76404-06-3), with molecular formula C52H60BrClN4O5S and molecular weight 966.32 g/mol. IUPAC: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;[8-methyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;bromide.
Chemical Property Profile of Duo-tran
Property Insights of Duo-tran
The XLogP value of 5.9423 indicates that Duo-tran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Duo-tran. Following Lipinski's Rule of Five, Duo-tran has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Duo-tran?
The CAS number of Duo-tran is 76404-06-3.
What is the molecular formula of Duo-tran?
The molecular formula of Duo-tran is C52H60BrClN4O5S.
What is the molecular weight of Duo-tran?
The molecular weight of Duo-tran is 966.32 g/mol.
Where can I buy Duo-tran?
You can request a quote for Duo-tran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Duo-tran?
Yes, KEHONG BIO provides custom synthesis services for Duo-tran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.