Phenylcarbamic acid
TL;DR: Phenylcarbamic acid (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.
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
Phenylcarbamic acid (CAS 501-82-6), with molecular formula C7H7NO2 and molecular weight 137.05 g/mol. IUPAC: phenylcarbamic acid.
Chemical Property Profile of Phenylcarbamic acid
Property Insights of Phenylcarbamic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylcarbamic acid. With a topological polar surface area (TPSA) of 49.3 Ų, Phenylcarbamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylcarbamic acid 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 Phenylcarbamic acid?
The CAS number of Phenylcarbamic acid is 501-82-6.
What is the molecular formula of Phenylcarbamic acid?
The molecular formula of Phenylcarbamic acid is C7H7NO2.
What is the molecular weight of Phenylcarbamic acid?
The molecular weight of Phenylcarbamic acid is 137.05 g/mol.
Where can I buy Phenylcarbamic acid?
You can request a quote for Phenylcarbamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylcarbamic acid?
Yes, KEHONG BIO provides custom synthesis services for Phenylcarbamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.