C22H27ClN5O2S.1/2Cl4Zn
TL;DR: C22H27ClN5O2S.1/2Cl4Zn (CAS 72245-63-7) is a chemical compound with molecular formula C44H54Cl6N10O4S2Zn and molecular weight 1124.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
zinc;bis(3-[2-[[4-[2-chloroethyl(ethyl)amino]phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide);tetrachloride
Also Known As: C22H27ClN5O2S.1/2Cl4Zn, C22-H27-Cl-N5-O2-S.1/2Cl4-Zn, Benzothiazolium, 3-(3-amino-3-oxopropyl)-2-((4-((2-chloroethyl)ethylamino)phenyl)azo)-6-ethoxy-, (T-4)-tetrachlorozincate(2-) (2:1), Benzothiazolium, 3-(3-amino-3-oxopropyl)-2-(2-(4-((2-chloroethyl)ethylamino)phenyl)diazenyl)-6-ethoxy-, (T-4)-tetrachlorozincate(2-) (2:1), Benzothiazolium, 3-(3-amino-3-oxopropyl)-2-[[4-[(2-chloroethyl)ethylamino]phenyl]azo]-6-ethoxy-, (T-4)-tetrachlorozincate(2-) (2:1)
| Molecular Formula | C44H54Cl6N10O4S2Zn |
|---|---|
| Molecular Weight | 1124.12 g/mol |
| LogP | -2.0997 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Exact Mass | 1124.1194 |
| Heavy Atoms | 67 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 72245-63-7 |
|---|---|
| SMILES | CCN(CCCl)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OCC)CCC(=O)N.CCN(CCCl)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OCC)CCC(=O)N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2] |
| InChIKey | CNASTTDDUSQNTN-UHFFFAOYSA-L |
Product Overview
C22H27ClN5O2S.1/2Cl4Zn (CAS 72245-63-7), with molecular formula C44H54Cl6N10O4S2Zn and molecular weight 1124.12 g/mol. IUPAC: zinc;bis(3-[2-[[4-[2-chloroethyl(ethyl)amino]phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide);tetrachloride.
Chemical Property Profile of C22H27ClN5O2S.1/2Cl4Zn
Property Insights of C22H27ClN5O2S.1/2Cl4Zn
The XLogP value of -2.0997 indicates that C22H27ClN5O2S.1/2Cl4Zn is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.0 Ų indicates high polarity, suggesting C22H27ClN5O2S.1/2Cl4Zn may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C22H27ClN5O2S.1/2Cl4Zn has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H27ClN5O2S.1/2Cl4Zn?
The CAS number of C22H27ClN5O2S.1/2Cl4Zn is 72245-63-7.
What is the molecular formula of C22H27ClN5O2S.1/2Cl4Zn?
The molecular formula of C22H27ClN5O2S.1/2Cl4Zn is C44H54Cl6N10O4S2Zn.
What is the molecular weight of C22H27ClN5O2S.1/2Cl4Zn?
The molecular weight of C22H27ClN5O2S.1/2Cl4Zn is 1124.12 g/mol.
Where can I buy C22H27ClN5O2S.1/2Cl4Zn?
You can request a quote for C22H27ClN5O2S.1/2Cl4Zn directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H27ClN5O2S.1/2Cl4Zn?
Yes, KEHONG BIO provides custom synthesis services for C22H27ClN5O2S.1/2Cl4Zn and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.