N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea
TL;DR: N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea (CAS 333739-38-1) is a chemical compound with molecular formula C16H15N3O5S and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-[(2-methoxyphenyl)carbamothioyl]-3-nitrobenzamide
Also Known As: BAS 02820067, N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea, 4-methoxy-N-[(2-methoxyphenyl)carbamothioyl]-3-nitrobenzamide, 1-(4-Methoxy-3-nitro-benzoyl)-3-(2-methoxy-phenyl)-thiourea
| Molecular Formula | C16H15N3O5S |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 2.7388 |
| Topological Polar Surface Area | 102.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.07324 |
| Heavy Atoms | 25 |
| Complexity | 825.16754 |
Chemical Identifiers
| CAS Number | 333739-38-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OC)[N+](=O)[O-] |
Product Overview
N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea (CAS 333739-38-1), with molecular formula C16H15N3O5S and molecular weight 361.07 g/mol. IUPAC: 4-methoxy-N-[(2-methoxyphenyl)carbamothioyl]-3-nitrobenzamide.
Chemical Property Profile of N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea
Property Insights of N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea
The XLogP value of 2.7388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea. The TPSA of 102.73 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea. Following Lipinski's Rule of Five, N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea has 2 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 N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea?
The CAS number of N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea is 333739-38-1.
What is the molecular formula of N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea?
The molecular formula of N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea is C16H15N3O5S.
What is the molecular weight of N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea?
The molecular weight of N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea is 361.07 g/mol.
Where can I buy N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea?
You can request a quote for N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-{3-nitro-4-methoxybenzoyl}-N'-(2-methoxyphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.