Phenylmethyl hydrogen carbonate
TL;DR: Phenylmethyl hydrogen carbonate (CAS 39608-52-1) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl hydrogen carbonate
Also Known As: cbz-water, benzyl hydrogen carbonate, Linezolid Impurity 39, Phenylmethoxyformic Acid, carbonic acid benzyl ester
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.04735 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.04735 Da |
| Heavy Atoms | 11 |
| Complexity | 127.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)O |
| InChIKey | NJAPCAIWQRPQPY-UHFFFAOYSA-N |
Product Description
Applications: Phenylmethyl hydrogen carbonate 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 Phenylmethyl hydrogen carbonate (CAS 39608-52-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Phenylmethyl hydrogen carbonate (CAS 39608-52-1) is a heterocyclic building block with the molecular formula C8H8O3 and a molecular weight of 152.05 g/mol. It is also known as cbz-water and benzyl hydrogen carbonate.
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 Phenylmethyl hydrogen carbonate
Property Insights of Phenylmethyl hydrogen carbonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylmethyl hydrogen carbonate. With a topological polar surface area (TPSA) of 46.5 Ų, Phenylmethyl hydrogen carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylmethyl hydrogen carbonate 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
What is the CAS number of Phenylmethyl hydrogen carbonate?
The CAS number of Phenylmethyl hydrogen carbonate is 39608-52-1.
What is the molecular formula of Phenylmethyl hydrogen carbonate?
The molecular formula of Phenylmethyl hydrogen carbonate is C8H8O3.
What is the molecular weight of Phenylmethyl hydrogen carbonate?
The molecular weight of Phenylmethyl hydrogen carbonate is 152.04735 g/mol.
What are the applications of Phenylmethyl hydrogen carbonate?
Phenylmethyl hydrogen carbonate 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 Phenylmethyl hydrogen...
Where can I buy Phenylmethyl hydrogen carbonate?
You can request a quote for Phenylmethyl hydrogen carbonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenylmethyl hydrogen carbonate?
Yes, CoreyChem provides custom synthesis services for Phenylmethyl hydrogen carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.