2,6-Dimethylphenyl carbonochloridate
TL;DR: 2,6-Dimethylphenyl carbonochloridate (CAS 89126-05-6) is a chemical compound with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethylphenyl) carbonochloridate
Also Known As: 2,6-dimethylphenyl chloroformate, 2,6-dimethylphenyl carbonochloridate, 2,6-dimethylphenylchloroformate, (2,6-dimethylphenyl) carbonochloridate, (2,6-dimethylphenyl) chloroformate
| Molecular Formula | C9H9ClO2 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.02911 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 89126-05-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OC(=O)Cl |
| InChIKey | WPHOWHZYEOSZIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethylphenyl carbonochloridate (CAS 89126-05-6), with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol. IUPAC: (2,6-dimethylphenyl) carbonochloridate.
Chemical Property Profile of 2,6-Dimethylphenyl carbonochloridate
Property Insights of 2,6-Dimethylphenyl carbonochloridate
The XLogP value of 3.4 indicates that 2,6-Dimethylphenyl carbonochloridate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,6-Dimethylphenyl carbonochloridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethylphenyl carbonochloridate 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 2,6-Dimethylphenyl carbonochloridate?
The CAS number of 2,6-Dimethylphenyl carbonochloridate is 89126-05-6.
What is the molecular formula of 2,6-Dimethylphenyl carbonochloridate?
The molecular formula of 2,6-Dimethylphenyl carbonochloridate is C9H9ClO2.
What is the molecular weight of 2,6-Dimethylphenyl carbonochloridate?
The molecular weight of 2,6-Dimethylphenyl carbonochloridate is 184.03 g/mol.
Where can I buy 2,6-Dimethylphenyl carbonochloridate?
You can request a quote for 2,6-Dimethylphenyl carbonochloridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethylphenyl carbonochloridate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethylphenyl carbonochloridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.