苄基碳酸氢酯
TL;DR: 苄基碳酸氢酯 (CAS 39608-52-1) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基碳酸氢酯
benzyl hydrogen carbonate
Also Known As: cbz-water, benzyl hydrogen carbonate, Linezolid Impurity 39, Phenylmethoxyformic Acid, carbonic acid benzyl ester
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 39608-52-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)O |
| InChIKey | NJAPCAIWQRPQPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄基碳酸氢酯 (CAS 39608-52-1), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: benzyl hydrogen carbonate.
Chemical Property Profile of 苄基碳酸氢酯
Property Insights of 苄基碳酸氢酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄基碳酸氢酯. With a topological polar surface area (TPSA) of 46.5 Ų, 苄基碳酸氢酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄基碳酸氢酯 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 苄基碳酸氢酯?
The CAS number of 苄基碳酸氢酯 is 39608-52-1.
What is the molecular formula of 苄基碳酸氢酯?
The molecular formula of 苄基碳酸氢酯 is C8H8O3.
What is the molecular weight of 苄基碳酸氢酯?
The molecular weight of 苄基碳酸氢酯 is 152.05 g/mol.
Where can I buy 苄基碳酸氢酯?
You can request a quote for 苄基碳酸氢酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基碳酸氢酯?
Yes, KEHONG BIO provides custom synthesis services for 苄基碳酸氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.