Phenylcarbamic acid
TL;DR: Phenylcarbamic acid (CAS 501-82-6) is a chemical compound with molecular formula C7H7NO2 and molecular weight 137.04768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenylcarbamic acid
Also Known As: Phenylcarbamic acid, Carbanilic acid, Carbanilsaeure, n-carboxyaniline, Phenylcarbamidsaeure
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.04768 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.04768 Da |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
| SMILES | C1=CC=C(C=C1)NC(=O)O |
| InChIKey | PWXJULSLLONQHY-UHFFFAOYSA-N |
Product Description
Applications: Phenylcarbamic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Phenylcarbamic acid (CAS 501-82-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Phenylcarbamic acid (CAS 501-82-6) is a heterocyclic building block with the molecular formula C7H7NO2 and a molecular weight of 137.05 g/mol. It is also known as Phenylcarbamic acid and Carbanilic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 137.04768 g/mol.
What are the applications of Phenylcarbamic acid?
Phenylcarbamic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Phenylcarbamic acid (CAS 501-82-6)...
Where can I buy Phenylcarbamic acid?
You can request a quote for Phenylcarbamic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenylcarbamic acid?
Yes, CoreyChem provides custom synthesis services for Phenylcarbamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.