4-甲酰苯基N-苯基氨基甲酸酯
TL;DR: 4-甲酰苯基N-苯基氨基甲酸酯 (CAS 37076-88-3) is a chemical compound with molecular formula C14H11NO3 and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲酰苯基N-苯基氨基甲酸酯
(4-formylphenyl) N-phenylcarbamate
Also Known As: (4-formylphenyl) N-phenylcarbamate, 4-FORMYLPHENYL N-PHENYLCARBAMATE, 4-formylphenyl phenylcarbamate, 4-(((PHENYLAMINO)CARBONYL)OXY)BENZALDEHYDE, 4-[(Phenylcarbamoyl)oxy]benzaldehyde
| Molecular Formula | C14H11NO3 |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.0739 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 37076-88-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)C=O |
| InChIKey | BPFODGWHRDEZIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲酰苯基N-苯基氨基甲酸酯 (CAS 37076-88-3), with molecular formula C14H11NO3 and molecular weight 241.07 g/mol. IUPAC: (4-formylphenyl) N-phenylcarbamate.
Chemical Property Profile of 4-甲酰苯基N-苯基氨基甲酸酯
Property Insights of 4-甲酰苯基N-苯基氨基甲酸酯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲酰苯基N-苯基氨基甲酸酯. With a topological polar surface area (TPSA) of 55.4 Ų, 4-甲酰苯基N-苯基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲酰苯基N-苯基氨基甲酸酯 has 1 hydrogen bond donor(s) and 3 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-甲酰苯基N-苯基氨基甲酸酯?
The CAS number of 4-甲酰苯基N-苯基氨基甲酸酯 is 37076-88-3.
What is the molecular formula of 4-甲酰苯基N-苯基氨基甲酸酯?
The molecular formula of 4-甲酰苯基N-苯基氨基甲酸酯 is C14H11NO3.
What is the molecular weight of 4-甲酰苯基N-苯基氨基甲酸酯?
The molecular weight of 4-甲酰苯基N-苯基氨基甲酸酯 is 241.07 g/mol.
Where can I buy 4-甲酰苯基N-苯基氨基甲酸酯?
You can request a quote for 4-甲酰苯基N-苯基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲酰苯基N-苯基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-甲酰苯基N-苯基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.