Carbonochloridic acid, 2-methyl-2-propen-1-yl ester
TL;DR: Carbonochloridic acid, 2-methyl-2-propen-1-yl ester (CAS 42068-70-2) is a chemical compound with molecular formula C5H7ClO2 and molecular weight 134.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylprop-2-enyl carbonochloridate
Also Known As: Methallyl chloroformate, 2-Methylallyl chloroformate, 2-methylallyl carbonochloridate, 2-methylprop-2-enyl carbonochloridate, Carbonochloridic acid, 2-methyl-2-propenyl ester
| Molecular Formula | C5H7ClO2 |
|---|---|
| Molecular Weight | 134.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.01346 |
| Heavy Atoms | 8 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 42068-70-2 |
|---|---|
| SMILES | CC(=C)COC(=O)Cl |
| InChIKey | MGDDPXJDBGFXCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonochloridic acid, 2-methyl-2-propen-1-yl ester (CAS 42068-70-2), with molecular formula C5H7ClO2 and molecular weight 134.01 g/mol. IUPAC: 2-methylprop-2-enyl carbonochloridate.
Chemical Property Profile of Carbonochloridic acid, 2-methyl-2-propen-1-yl ester
Property Insights of Carbonochloridic acid, 2-methyl-2-propen-1-yl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonochloridic acid, 2-methyl-2-propen-1-yl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Carbonochloridic acid, 2-methyl-2-propen-1-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonochloridic acid, 2-methyl-2-propen-1-yl ester 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 Carbonochloridic acid, 2-methyl-2-propen-1-yl ester?
The CAS number of Carbonochloridic acid, 2-methyl-2-propen-1-yl ester is 42068-70-2.
What is the molecular formula of Carbonochloridic acid, 2-methyl-2-propen-1-yl ester?
The molecular formula of Carbonochloridic acid, 2-methyl-2-propen-1-yl ester is C5H7ClO2.
What is the molecular weight of Carbonochloridic acid, 2-methyl-2-propen-1-yl ester?
The molecular weight of Carbonochloridic acid, 2-methyl-2-propen-1-yl ester is 134.01 g/mol.
Where can I buy Carbonochloridic acid, 2-methyl-2-propen-1-yl ester?
You can request a quote for Carbonochloridic acid, 2-methyl-2-propen-1-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonochloridic acid, 2-methyl-2-propen-1-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonochloridic acid, 2-methyl-2-propen-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.