苯氨基甲酸
TL;DR: 苯氨基甲酸 (CAS 501-82-6) is a chemical compound with molecular formula C7H7NO2 and molecular weight 137.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯氨基甲酸
phenylcarbamic acid
Also Known As: Phenylcarbamic acid, Carbanilic acid, Carbanilsaeure, n-carboxyaniline, Phenylcarbamidsaeure
| Molecular Formula | C7H7NO2 |
|---|---|
| Molecular Weight | 137.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.04768 |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 501-82-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)O |
| InChIKey | PWXJULSLLONQHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯氨基甲酸 (CAS 501-82-6), with molecular formula C7H7NO2 and molecular weight 137.05 g/mol. IUPAC: phenylcarbamic acid.
Chemical Property Profile of 苯氨基甲酸
Property Insights of 苯氨基甲酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯氨基甲酸. With a topological polar surface area (TPSA) of 49.3 Ų, 苯氨基甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯氨基甲酸 has 2 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 苯氨基甲酸?
The CAS number of 苯氨基甲酸 is 501-82-6.
What is the molecular formula of 苯氨基甲酸?
The molecular formula of 苯氨基甲酸 is C7H7NO2.
What is the molecular weight of 苯氨基甲酸?
The molecular weight of 苯氨基甲酸 is 137.05 g/mol.
Where can I buy 苯氨基甲酸?
You can request a quote for 苯氨基甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯氨基甲酸?
Yes, KEHONG BIO provides custom synthesis services for 苯氨基甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.