tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate
TL;DR: tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate (CAS 701289-53-4) is a chemical compound with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]carbamate
Also Known As: tert-butyl N-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]carbamate, (tert-butoxy)-N-({[(4-methyl-2-oxochromen-7-yl)amino]thioxomethyl}amino)carbox amide, tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate, tert-butyl 2-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl]hydrazinecarboxylate
| Molecular Formula | C16H19N3O4S |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 2.82752 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.10962 |
| Heavy Atoms | 24 |
| Complexity | 839.3119 |
Chemical Identifiers
| CAS Number | 701289-53-4 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NNC(=O)OC(C)(C)C |
Product Overview
tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate (CAS 701289-53-4), with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol. IUPAC: tert-butyl N-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]carbamate.
Chemical Property Profile of tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate
Property Insights of tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate
The XLogP value of 2.82752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate. Following Lipinski's Rule of Five, tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate has 3 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 tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate?
The CAS number of tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate is 701289-53-4.
What is the molecular formula of tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate?
The molecular formula of tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate is C16H19N3O4S.
What is the molecular weight of tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate?
The molecular weight of tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate is 349.11 g/mol.
Where can I buy tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate?
You can request a quote for tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)carbamothioyl)hydrazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.