氨基甲酸苄酯
TL;DR: 氨基甲酸苄酯 (CAS 621-84-1) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氨基甲酸苄酯
benzyl carbamate
Also Known As: BENZYL CARBAMATE, Benzylcarbamate, Carbamic acid benzyl ester, Carbamic acid, phenylmethyl ester, benzyl urethane
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 621-84-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)N |
| InChIKey | PUJDIJCNWFYVJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氨基甲酸苄酯 (CAS 621-84-1), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: benzyl carbamate.
Chemical Property Profile of 氨基甲酸苄酯
Property Insights of 氨基甲酸苄酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氨基甲酸苄酯. With a topological polar surface area (TPSA) of 52.3 Ų, 氨基甲酸苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氨基甲酸苄酯 has 1 hydrogen bond donor(s) and 2 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 氨基甲酸苄酯?
The CAS number of 氨基甲酸苄酯 is 621-84-1.
What is the molecular formula of 氨基甲酸苄酯?
The molecular formula of 氨基甲酸苄酯 is C8H9NO2.
What is the molecular weight of 氨基甲酸苄酯?
The molecular weight of 氨基甲酸苄酯 is 151.06 g/mol.
Where can I buy 氨基甲酸苄酯?
You can request a quote for 氨基甲酸苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氨基甲酸苄酯?
Yes, KEHONG BIO provides custom synthesis services for 氨基甲酸苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.