![methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate structure](/static/products/634/63473-52-9.png)
methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate
TL;DR: methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate (CAS 63473-52-9) is a chemical compound with molecular formula C13H17N3O5S and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate
Also Known As: methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate, METHYL N-[METHYL(2-NITRO-4-PROPOXYPHENYL)CARBAMOTHIOYL]CARBAMATE, [[N-Methyl-N-(2-nitro-4-propoxyphenyl)amino]thioxomethyl]carbamic acid methyl ester, CARBAMIC ACID, ((METHYL(2-NITRO-4-PROPOXYPHENYL)AMINO)THIOXOMETHYL)-, METHYL EST
| Molecular Formula | C13H17N3O5S |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 2.4607 |
| Topological Polar Surface Area | 93.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.0889 |
| Heavy Atoms | 22 |
| Complexity | 578.794 |
Chemical Identifiers
| CAS Number | 63473-52-9 |
|---|---|
| SMILES | CCCOC1=CC(=C(C=C1)N(C)C(=S)NC(=O)OC)[N+](=O)[O-] |
Product Overview
methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate (CAS 63473-52-9), with molecular formula C13H17N3O5S and molecular weight 327.09 g/mol. IUPAC: methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate.
Chemical Property Profile of methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate
Property Insights of methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate
The XLogP value of 2.4607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate. The TPSA of 93.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate. Following Lipinski's Rule of Five, methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate 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 methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate?
The CAS number of methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate is 63473-52-9.
What is the molecular formula of methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate?
The molecular formula of methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate is C13H17N3O5S.
What is the molecular weight of methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate?
The molecular weight of methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate is 327.09 g/mol.
Where can I buy methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate?
You can request a quote for methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.