![5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one structure](/static/products/780/780806-98-6.png)
5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
TL;DR: 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one (CAS 780806-98-6) is a chemical compound with molecular formula C19H13BrN4O2S2 and molecular weight 471.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Also Known As: 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
| Molecular Formula | C19H13BrN4O2S2 |
|---|---|
| Molecular Weight | 471.97 g/mol |
| LogP | 3.8266 |
| Topological Polar Surface Area | 90.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.96634 |
| Heavy Atoms | 28 |
| Complexity | 1225.9546 |
Chemical Identifiers
| CAS Number | 780806-98-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NSC3=NC(=O)C(=C(N32)N)/C=C/4\C=CC(=O)C(=C4)Br |
Product Overview
5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one (CAS 780806-98-6), with molecular formula C19H13BrN4O2S2 and molecular weight 471.97 g/mol. IUPAC: 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one.
Chemical Property Profile of 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Property Insights of 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
The XLogP value of 3.8266 indicates that 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one. Following Lipinski's Rule of Five, 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one 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 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The CAS number of 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is 780806-98-6.
What is the molecular formula of 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular formula of 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is C19H13BrN4O2S2.
What is the molecular weight of 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular weight of 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is 471.97 g/mol.
Where can I buy 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
You can request a quote for 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-3-benzylsulfanyl-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.