![4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid structure](/static/products/2743/27431-98-7.webp)
4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid
TL;DR: 4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid (CAS 27431-98-7) is a chemical compound with molecular formula C15H14N2O4 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methoxyphenyl)methyl-nitrosoamino]benzoic acid
Also Known As: 4-[(4-methoxybenzyl)(nitroso)amino]benzoic acid, 4-[(4-methoxyphenyl)methyl-nitrosoamino]benzoic acid, Benzoic acid,4-[[(4-methoxyphenyl)methyl]nitrosoamino]-, 4-{[(4-METHOXYPHENYL)METHYL](NITROSO)AMINO}BENZOIC ACID
| Molecular Formula | C15H14N2O4 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.09537 |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 27431-98-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)O)N=O |
| InChIKey | KAEANTJLFZCINI-UHFFFAOYSA-N |
Product Overview
4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid (CAS 27431-98-7), with molecular formula C15H14N2O4 and molecular weight 286.10 g/mol. IUPAC: 4-[(4-methoxyphenyl)methyl-nitrosoamino]benzoic acid.
Chemical Property Profile of 4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid
Property Insights of 4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid 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 4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid?
The CAS number of 4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid is 27431-98-7.
What is the molecular formula of 4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid?
The molecular formula of 4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid is C15H14N2O4.
What is the molecular weight of 4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid?
The molecular weight of 4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid is 286.10 g/mol.
Where can I buy 4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid?
You can request a quote for 4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Methoxybenzyl)(nitroso)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.