碳酸单苯酯
TL;DR: 碳酸单苯酯 (CAS 13932-55-3) is a chemical compound with molecular formula C7H6O3 and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碳酸单苯酯
phenyl hydrogen carbonate
Also Known As: phenyl hydrogen carbonate, Perbenzoic acid, Dentavon, monophenyl carbonate, Peroxybenzoic acid
| Molecular Formula | C7H6O3 |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.0317 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 13932-55-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)O |
| InChIKey | QIIPQYDSKRYMFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碳酸单苯酯 (CAS 13932-55-3), with molecular formula C7H6O3 and molecular weight 138.03 g/mol. IUPAC: phenyl hydrogen carbonate.
Chemical Property Profile of 碳酸单苯酯
Property Insights of 碳酸单苯酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 碳酸单苯酯. With a topological polar surface area (TPSA) of 46.5 Ų, 碳酸单苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碳酸单苯酯 has 1 hydrogen bond donor(s) and 3 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 碳酸单苯酯?
The CAS number of 碳酸单苯酯 is 13932-55-3.
What is the molecular formula of 碳酸单苯酯?
The molecular formula of 碳酸单苯酯 is C7H6O3.
What is the molecular weight of 碳酸单苯酯?
The molecular weight of 碳酸单苯酯 is 138.03 g/mol.
Where can I buy 碳酸单苯酯?
You can request a quote for 碳酸单苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碳酸单苯酯?
Yes, KEHONG BIO provides custom synthesis services for 碳酸单苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.