2,6-Di(propan-2-yl)phenyl carbonochloridate
TL;DR: 2,6-Di(propan-2-yl)phenyl carbonochloridate (CAS 77787-04-3) is a chemical compound with molecular formula C13H17ClO2 and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-di(propan-2-yl)phenyl] carbonochloridate
Also Known As: 2,6-diisopropylphenyl chloroformate, 2,6-di(propan-2-yl)phenyl carbonochloridate, 2,6-diisopropylphenyl carbonochloridate, [2,6-di(propan-2-yl)phenyl] carbonochloridate, (2,6-Dipropan-2-ylphenyl) chloroformate
| Molecular Formula | C13H17ClO2 |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.0917 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 77787-04-3 |
|---|---|
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)Cl |
| InChIKey | OCXOOAMLBGDWQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Di(propan-2-yl)phenyl carbonochloridate (CAS 77787-04-3), with molecular formula C13H17ClO2 and molecular weight 240.09 g/mol. IUPAC: [2,6-di(propan-2-yl)phenyl] carbonochloridate.
Chemical Property Profile of 2,6-Di(propan-2-yl)phenyl carbonochloridate
Property Insights of 2,6-Di(propan-2-yl)phenyl carbonochloridate
The XLogP value of 5.0 indicates that 2,6-Di(propan-2-yl)phenyl 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-Di(propan-2-yl)phenyl carbonochloridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Di(propan-2-yl)phenyl 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-Di(propan-2-yl)phenyl carbonochloridate?
The CAS number of 2,6-Di(propan-2-yl)phenyl carbonochloridate is 77787-04-3.
What is the molecular formula of 2,6-Di(propan-2-yl)phenyl carbonochloridate?
The molecular formula of 2,6-Di(propan-2-yl)phenyl carbonochloridate is C13H17ClO2.
What is the molecular weight of 2,6-Di(propan-2-yl)phenyl carbonochloridate?
The molecular weight of 2,6-Di(propan-2-yl)phenyl carbonochloridate is 240.09 g/mol.
Where can I buy 2,6-Di(propan-2-yl)phenyl carbonochloridate?
You can request a quote for 2,6-Di(propan-2-yl)phenyl 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-Di(propan-2-yl)phenyl carbonochloridate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Di(propan-2-yl)phenyl carbonochloridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.