![6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/6922/692271-86-6.webp)
6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one (CAS 692271-86-6) is a chemical compound with molecular formula C18H13BrN4O3S and molecular weight 443.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5-bromofuran-2-yl)methylidene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one, 6-[(5-bromofuran-2-yl)methylidene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C18H13BrN4O3S |
|---|---|
| Molecular Weight | 443.99 g/mol |
| LogP | 4.04869 |
| Topological Polar Surface Area | 91.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.98917 |
| Heavy Atoms | 27 |
| Complexity | 1040.7327 |
Chemical Identifiers
| CAS Number | 692271-86-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC2=NN3C(=N)C(=CC4=CC=C(O4)Br)C(=O)N=C3S2 |
Product Overview
6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one (CAS 692271-86-6), with molecular formula C18H13BrN4O3S and molecular weight 443.99 g/mol. IUPAC: 6-[(5-bromofuran-2-yl)methylidene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 4.04869 indicates that 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 6 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 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is 692271-86-6.
What is the molecular formula of 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is C18H13BrN4O3S.
What is the molecular weight of 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is 443.99 g/mol.
Where can I buy 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-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 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[(5-Bromo-2-furanyl)methylene]-5,6-dihydro-5-imino-2-[(3-methylphenoxy)methyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.