(3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate
TL;DR: (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate (CAS 522641-63-0) is a chemical compound with molecular formula C23H21N5O5 and molecular weight 447.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitroanilino)-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
Also Known As: (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate, Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(3-nitrophenyl)amino]-2-oxoethyl ester, [2-(3-nitroanilino)-2-oxoethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate
| Molecular Formula | C23H21N5O5 |
|---|---|
| Molecular Weight | 447.15 g/mol |
| LogP | 4.8717 |
| Topological Polar Surface Area | 126.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.15427 |
| Heavy Atoms | 33 |
| Complexity | 1191.8563 |
Chemical Identifiers
| CAS Number | 522641-63-0 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate (CAS 522641-63-0), with molecular formula C23H21N5O5 and molecular weight 447.15 g/mol. IUPAC: [2-(3-nitroanilino)-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate.
Chemical Property Profile of (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate
Property Insights of (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate
The XLogP value of 4.8717 indicates that (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate. Following Lipinski's Rule of Five, (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate has 1 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 (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate?
The CAS number of (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate is 522641-63-0.
What is the molecular formula of (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate?
The molecular formula of (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate is C23H21N5O5.
What is the molecular weight of (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate?
The molecular weight of (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate is 447.15 g/mol.
Where can I buy (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate?
You can request a quote for (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-nitrophenyl)carbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.