1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene
TL;DR: 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene (CAS 35198-73-3) is a chemical compound with molecular formula C12H13N5O6S2 and molecular weight 387.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-nitrophenyl]carbamothioyl]carbamate
Also Known As: 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene, Methyl [2-({[(methoxycarbonyl)amino]carbothioyl}amino)-4-nitroanilino]carbothioylcarbamate, Methyl (2-((((methoxycarbonyl)amino)carbothioyl)amino)-4-nitroanilino)carbothioylcarbamate, methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-nitrophenyl]carbamothioyl]carbamate, Methyl N-[[2-(methoxycarbonylthiocarbamoylamino)-5-nitro-phenyl]thiocarbamoyl]carbamate
| Molecular Formula | C12H13N5O6S2 |
|---|---|
| Molecular Weight | 387.03 g/mol |
| LogP | 1.7004 |
| Topological Polar Surface Area | 143.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.03073 |
| Heavy Atoms | 25 |
| Complexity | 725.9473 |
Chemical Identifiers
| CAS Number | 35198-73-3 |
|---|---|
| SMILES | COC(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)OC |
Product Overview
1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene (CAS 35198-73-3), with molecular formula C12H13N5O6S2 and molecular weight 387.03 g/mol. IUPAC: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-nitrophenyl]carbamothioyl]carbamate.
Chemical Property Profile of 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene
Property Insights of 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene
The XLogP value of 1.7004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene. The TPSA of 143.86 Ų indicates high polarity, suggesting 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene has 4 hydrogen bond donor(s) and 8 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 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene?
The CAS number of 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene is 35198-73-3.
What is the molecular formula of 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene?
The molecular formula of 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene is C12H13N5O6S2.
What is the molecular weight of 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene?
The molecular weight of 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene is 387.03 g/mol.
Where can I buy 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene?
You can request a quote for 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis-(3-methoxycarbonyl-2-thioureido)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.