![[1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate structure](/static/products/3118/31181-08-5.webp)
[1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate
TL;DR: [1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate (CAS 31181-08-5) is a chemical compound with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate
Also Known As: [1-[(Z)-(carbamothioylhydrazinylidene)methyl]isoquinolin-7-y|[1-[(carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate|[1-[(Z)-(carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate|2-{[7-(Acetyloxy)isoquinolin-1-yl]methylidene}hydrazine-1-carboximidothioic acid
| Molecular Formula | C13H12N4O2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 1.3272 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.06808 |
| Heavy Atoms | 20 |
| Complexity | 699.8307 |
Chemical Identifiers
| CAS Number | 31181-08-5 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C=CN=C2C=NNC(=S)N |
Product Overview
[1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate (CAS 31181-08-5), with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol. IUPAC: [1-[(carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate.
Chemical Property Profile of [1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate
Property Insights of [1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate
The XLogP value of 1.3272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate. Following Lipinski's Rule of Five, [1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate has 2 hydrogen bond donor(s) and 5 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 [1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate?
The CAS number of [1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate is 31181-08-5.
What is the molecular formula of [1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate?
The molecular formula of [1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate is C13H12N4O2S.
What is the molecular weight of [1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate?
The molecular weight of [1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate is 288.07 g/mol.
Where can I buy [1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate?
You can request a quote for [1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [1-[(Carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.