![(Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate structure](/static/products/844/844446-97-5.png)
(Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate
TL;DR: (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate (CAS 844446-97-5) is a chemical compound with molecular formula C28H23N5O4S and molecular weight 525.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxyphenyl] 4-propan-2-ylbenzoate
Also Known As: (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate, [4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxyphenyl] 4-propan-2-ylbenzoate, 4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-methoxyphenyl 4-(propan-2-yl)benzoate
| Molecular Formula | C28H23N5O4S |
|---|---|
| Molecular Weight | 525.15 g/mol |
| LogP | 5.10027 |
| Topological Polar Surface Area | 117.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 525.1471 |
| Heavy Atoms | 38 |
| Complexity | 1528.5486 |
Chemical Identifiers
| CAS Number | 844446-97-5 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)OC |
Product Overview
(Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate (CAS 844446-97-5), with molecular formula C28H23N5O4S and molecular weight 525.15 g/mol. IUPAC: [4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxyphenyl] 4-propan-2-ylbenzoate.
Chemical Property Profile of (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate
Property Insights of (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate
The XLogP value of 5.10027 indicates that (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate 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)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate. Following Lipinski's Rule of Five, (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate 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)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate?
The CAS number of (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate is 844446-97-5.
What is the molecular formula of (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate?
The molecular formula of (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate is C28H23N5O4S.
What is the molecular weight of (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate?
The molecular weight of (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate is 525.15 g/mol.
Where can I buy (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate?
You can request a quote for (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl 4-isopropylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.