氯甲酸芐酯
TL;DR: 氯甲酸芐酯 (CAS 501-53-1) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯甲酸芐酯
benzyl carbonochloridate
Also Known As: BENZYL CHLOROFORMATE, Benzyl carbonochloridate, Carbobenzoxy chloride, Cbz chloride, Benzyl chlorocarbonate
| Molecular Formula | C8H7ClO2 |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.01346 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
| Melting Point | 0 °C |
| Boiling Point | 152.2 °C at 760 mmHg (decomposes) |
| Density | 1.22 at 20.0 °C |
| Solubility | SOL IN ETHER, ACETONE, BENZENE |
| Flash Point | 108.3 °C Vigorous decomposition occurs at these temperatures; thus these values are anomalous due to the effect of the decomp. products (benzyl chloride and CO2). |
| Vapor Pressure | 7 mm Hg @ 85-87 °C |
| Refractive Index | 1.5175 @ 20 °C |
Chemical Identifiers
| CAS Number | 501-53-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)Cl |
| InChIKey | HSDAJNMJOMSNEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯甲酸芐酯 (CAS 501-53-1), with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol. IUPAC: benzyl carbonochloridate.
Chemical Property Profile of 氯甲酸芐酯
Property Insights of 氯甲酸芐酯
The XLogP value of 3.0 indicates that 氯甲酸芐酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 氯甲酸芐酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯甲酸芐酯 has 0 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 氯甲酸芐酯?
The CAS number of 氯甲酸芐酯 is 501-53-1.
What is the molecular formula of 氯甲酸芐酯?
The molecular formula of 氯甲酸芐酯 is C8H7ClO2.
What is the molecular weight of 氯甲酸芐酯?
The molecular weight of 氯甲酸芐酯 is 170.01 g/mol.
Where can I buy 氯甲酸芐酯?
You can request a quote for 氯甲酸芐酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯甲酸芐酯?
Yes, KEHONG BIO provides custom synthesis services for 氯甲酸芐酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.