C26H37N3OS.2ClH.1/2H2O
TL;DR: C26H37N3OS.2ClH.1/2H2O (CAS 69382-08-7) is a chemical compound with molecular formula C50H76Cl4N6O3S2 and molecular weight 1012.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-[4-[3-(2-tert-butylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol);hydrate;tetrahydrochloride
Also Known As: C26H37N3OS.2ClH.1/2H2O, 1-Piperazineethanol, 4-(3-(2-tert-butyl-10-phenothiazinyl)propyl)-, dihydrochloride, hemihydrate, C26-H37-N3-O-S.2Cl-H.1/2H2-O, 4-(3-(2-tert-Butyl-10-phenothiazinyl)propyl)-1-piperazinoethanol dihydrochloride hemihydrate, 1-Piperazineethanol, 4-[3-[2-(1,1-dimethylethyl)-10H-phenothiazin-10-yl]propyl]-, dihydrochloride, hemihydrate
| Molecular Formula | C50H76Cl4N6O3S2 |
|---|---|
| Molecular Weight | 1012.42 g/mol |
| LogP | 10.0361 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 1012.4174 |
| Heavy Atoms | 65 |
| Complexity | 1880.7106 |
Chemical Identifiers
| CAS Number | 69382-08-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO.CC(C)(C)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO.O.Cl.Cl.Cl.Cl |
Product Overview
C26H37N3OS.2ClH.1/2H2O (CAS 69382-08-7), with molecular formula C50H76Cl4N6O3S2 and molecular weight 1012.42 g/mol. IUPAC: bis(2-[4-[3-(2-tert-butylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol);hydrate;tetrahydrochloride.
Chemical Property Profile of C26H37N3OS.2ClH.1/2H2O
Property Insights of C26H37N3OS.2ClH.1/2H2O
The XLogP value of 10.0361 indicates that C26H37N3OS.2ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for C26H37N3OS.2ClH.1/2H2O. Following Lipinski's Rule of Five, C26H37N3OS.2ClH.1/2H2O 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 C26H37N3OS.2ClH.1/2H2O?
The CAS number of C26H37N3OS.2ClH.1/2H2O is 69382-08-7.
What is the molecular formula of C26H37N3OS.2ClH.1/2H2O?
The molecular formula of C26H37N3OS.2ClH.1/2H2O is C50H76Cl4N6O3S2.
What is the molecular weight of C26H37N3OS.2ClH.1/2H2O?
The molecular weight of C26H37N3OS.2ClH.1/2H2O is 1012.42 g/mol.
Where can I buy C26H37N3OS.2ClH.1/2H2O?
You can request a quote for C26H37N3OS.2ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H37N3OS.2ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C26H37N3OS.2ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.