![苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯 structure](/static/products/1022/1022594-77-9.webp)
苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯
TL;DR: 苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯 (CAS 1022594-77-9) is a chemical compound with molecular formula C22H21N3O3 and molecular weight 375.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯
benzyl N-[[4-[(3-aminophenyl)carbamoyl]phenyl]methyl]carbamate
Also Known As: Benzyl N-[[4-[(3-aminophenyl)carbamoyl]phenyl]methyl]carbamate, Benzyl (4-((3-aminophenyl)carbamoyl)benzyl)carbamate, Benzyl ({4-[(3-aminophenyl)carbamoyl]phenyl}methyl)carbamate, benzyln-[[4-[(3-aminophenyl)carbamoyl]phenyl]methyl]carbamate
| Molecular Formula | C22H21N3O3 |
|---|---|
| Molecular Weight | 375.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.1583 |
| Heavy Atoms | 28 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 1022594-77-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)N |
| InChIKey | LOTNXFQCJQWAAZ-UHFFFAOYSA-N |
Product Overview
苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯 (CAS 1022594-77-9), with molecular formula C22H21N3O3 and molecular weight 375.16 g/mol. IUPAC: benzyl N-[[4-[(3-aminophenyl)carbamoyl]phenyl]methyl]carbamate.
Chemical Property Profile of 苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯
Property Insights of 苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯
The XLogP value of 3.1 indicates that 苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯. Following Lipinski's Rule of Five, 苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯 has 3 hydrogen bond donor(s) and 4 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 苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯?
The CAS number of 苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯 is 1022594-77-9.
What is the molecular formula of 苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯?
The molecular formula of 苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯 is C22H21N3O3.
What is the molecular weight of 苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯?
The molecular weight of 苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯 is 375.16 g/mol.
Where can I buy 苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯?
You can request a quote for 苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]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 苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 苄基 N-[[4-[(3-氨基苯基)氨基甲酰基]苯基]甲基]氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.