![tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate structure](/static/products/7012/701291-02-3.webp)
tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate
TL;DR: tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate (CAS 701291-02-3) is a chemical compound with molecular formula C13H18N4O5S and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate
Also Known As: 1,1-Dimethylethyl 2-[[(2-methoxy-4-nitrophenyl)amino]thioxomethyl]hydrazinecarboxylate, tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate, tert-butyl 2-[(2-methoxy-4-nitrophenyl)carbamothioyl]hydrazinecarboxylate, (tert-butoxy)-N-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)carboxami de, tert-Butyl 2-[(2-methoxy-4-nitrophenyl)carbamothioyl]hydrazine-1-carboxylate
| Molecular Formula | C13H18N4O5S |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 2.3295 |
| Topological Polar Surface Area | 114.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.0998 |
| Heavy Atoms | 23 |
| Complexity | 614.8727 |
Chemical Identifiers
| CAS Number | 701291-02-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NNC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])OC |
Product Overview
tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate (CAS 701291-02-3), with molecular formula C13H18N4O5S and molecular weight 342.10 g/mol. IUPAC: tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate.
Chemical Property Profile of tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate
Property Insights of tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate
The XLogP value of 2.3295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate. The TPSA of 114.76 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate. Following Lipinski's Rule of Five, tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate has 3 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 tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate?
The CAS number of tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate is 701291-02-3.
What is the molecular formula of tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate?
The molecular formula of tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate is C13H18N4O5S.
What is the molecular weight of tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate?
The molecular weight of tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate is 342.10 g/mol.
Where can I buy tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate?
You can request a quote for tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.