![(Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate structure](/static/products/848/848747-59-1.png)
(Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate
TL;DR: (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate (CAS 848747-59-1) is a chemical compound with molecular formula C26H18ClN5O4S and molecular weight 531.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] 4-methylbenzoate
Also Known As: (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate, [2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] 4-methylbenzoate, 2-chloro-4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-6-methoxyphenyl 4-methylbenzoate
| Molecular Formula | C26H18ClN5O4S |
|---|---|
| Molecular Weight | 531.08 g/mol |
| LogP | 4.93869 |
| Topological Polar Surface Area | 117.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.0768 |
| Heavy Atoms | 37 |
| Complexity | 1534.5167 |
Chemical Identifiers
| CAS Number | 848747-59-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Cl)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)OC |
Product Overview
(Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate (CAS 848747-59-1), with molecular formula C26H18ClN5O4S and molecular weight 531.08 g/mol. IUPAC: [2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] 4-methylbenzoate.
Chemical Property Profile of (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate
Property Insights of (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate
The XLogP value of 4.93869 indicates that (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate. Following Lipinski's Rule of Five, (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate?
The CAS number of (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate is 848747-59-1.
What is the molecular formula of (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate?
The molecular formula of (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate is C26H18ClN5O4S.
What is the molecular weight of (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate?
The molecular weight of (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate is 531.08 g/mol.
Where can I buy (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate?
You can request a quote for (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate 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-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.