N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea
TL;DR: N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea (CAS 142646-10-4) 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.
methyl N-[(2-nitro-4-phenylmethoxyphenyl)carbamothioyl]carbamate
Also Known As: N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea, Carbamic acid, (((2-nitro-4-(phenylmethoxy)phenyl)amino)thioxomethyl)-, methyl ester, Methyl (((2-nitro-4-(phenylmethoxy)phenyl)amino)thioxomethyl)carbamate, Methyl {[4-(benzyloxy)-2-nitrophenyl]carbamothioyl}carbamate, methyl N-[(2-nitro-4-phenylmethoxyphenyl)carbamothioyl]carbamate
| Molecular Formula | C16H15N3O5S |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 3.2266 |
| 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 | 782.5946 |
Chemical Identifiers
| CAS Number | 142646-10-4 |
|---|---|
| SMILES | COC(=O)NC(=S)NC1=C(C=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea (CAS 142646-10-4), with molecular formula C16H15N3O5S and molecular weight 361.07 g/mol. IUPAC: methyl N-[(2-nitro-4-phenylmethoxyphenyl)carbamothioyl]carbamate.
Chemical Property Profile of N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea
Property Insights of N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea
The XLogP value of 3.2266 indicates that N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.73 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea. Following Lipinski's Rule of Five, N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)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-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea?
The CAS number of N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea is 142646-10-4.
What is the molecular formula of N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea?
The molecular formula of N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea is C16H15N3O5S.
What is the molecular weight of N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea?
The molecular weight of N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea is 361.07 g/mol.
Where can I buy N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea?
You can request a quote for N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-Methoxycarbonyl-N'-(4-benzyloxy-2-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.