![(Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate structure](/static/products/850/850189-62-7.png)
(Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate
TL;DR: (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate (CAS 850189-62-7) is a chemical compound with molecular formula C21H23ClN4O4S2 and molecular weight 494.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-4-[(Z)-[2-(2-cyclohexylethyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] methanesulfonate
Also Known As: (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate, [2-chloro-4-[(Z)-[2-(2-cyclohexylethyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] methanesulfonate
| Molecular Formula | C21H23ClN4O4S2 |
|---|---|
| Molecular Weight | 494.08 g/mol |
| LogP | 4.65807 |
| Topological Polar Surface Area | 112.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.08493 |
| Heavy Atoms | 32 |
| Complexity | 1154.3309 |
Chemical Identifiers
| CAS Number | 850189-62-7 |
|---|---|
| SMILES | CS(=O)(=O)OC1=C(C=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CCC4CCCCC4)Cl |
Product Overview
(Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate (CAS 850189-62-7), with molecular formula C21H23ClN4O4S2 and molecular weight 494.08 g/mol. IUPAC: [2-chloro-4-[(Z)-[2-(2-cyclohexylethyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] methanesulfonate.
Chemical Property Profile of (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate
Property Insights of (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate
The XLogP value of 4.65807 indicates that (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate. Following Lipinski's Rule of Five, (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate has 1 hydrogen bond donor(s) and 7 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 (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate?
The CAS number of (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate is 850189-62-7.
What is the molecular formula of (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate?
The molecular formula of (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate is C21H23ClN4O4S2.
What is the molecular weight of (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate?
The molecular weight of (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate is 494.08 g/mol.
Where can I buy (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate?
You can request a quote for (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-chloro-4-((2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.