![(E)-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 3-methoxybenzoate structure](/static/products/844/844831-36-3.png)
(E)-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 3-methoxybenzoate
TL;DR: (E)-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 3-methoxybenzoate (CAS 844831-36-3) is a chemical compound with molecular formula C26H18ClN5O5S and molecular weight 547.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-4-[(E)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] 3-methoxybenzoate
Also Known As: (E)-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 3-methoxybenzoate, [2-chloro-4-[(E)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] 3-methoxybenzoate, 2-chloro-4-{(E)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-6-methoxyphenyl 3-methoxybenzoate
| Molecular Formula | C26H18ClN5O5S |
|---|---|
| Molecular Weight | 547.07 g/mol |
| LogP | 4.63887 |
| Topological Polar Surface Area | 126.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 547.0717 |
| Heavy Atoms | 38 |
| Complexity | 1571.4485 |
Chemical Identifiers
| CAS Number | 844831-36-3 |
|---|---|
| SMILES | COC1=CC=CC(=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
(E)-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 3-methoxybenzoate (CAS 844831-36-3), with molecular formula C26H18ClN5O5S and molecular weight 547.07 g/mol. IUPAC: [2-chloro-4-[(E)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] 3-methoxybenzoate.
Chemical Property Profile of (E)-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 3-methoxybenzoate
Property Insights of (E)-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 3-methoxybenzoate
The XLogP value of 4.63887 indicates that (E)-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 3-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-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 3-methoxybenzoate. Following Lipinski's Rule of Five, (E)-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 3-methoxybenzoate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-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 3-methoxybenzoate?
The CAS number of (E)-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 3-methoxybenzoate is 844831-36-3.
What is the molecular formula of (E)-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 3-methoxybenzoate?
The molecular formula of (E)-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 3-methoxybenzoate is C26H18ClN5O5S.
What is the molecular weight of (E)-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 3-methoxybenzoate?
The molecular weight of (E)-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 3-methoxybenzoate is 547.07 g/mol.
Where can I buy (E)-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 3-methoxybenzoate?
You can request a quote for (E)-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 3-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-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 3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-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 3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.