Isobutyl 3-chloropropionate
TL;DR: Isobutyl 3-chloropropionate (CAS 62108-68-3) is a chemical compound with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 3-chloropropanoate
Also Known As: Isobutyl 3-chloropropionate, 2-methylpropyl 3-chloropropanoate, Isobutyl 3-chloropropanoate #, 3-Chloropropanoic acid 2-methylpropyl ester, Propanoic acid, 3-chloro-, 2-methylpropyl ester
| Molecular Formula | C7H13ClO2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 164.06041 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 62108-68-3 |
|---|---|
| SMILES | CC(C)COC(=O)CCCl |
| InChIKey | NLGHCSSXCMOGKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl 3-chloropropionate (CAS 62108-68-3), with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol. IUPAC: 2-methylpropyl 3-chloropropanoate.
Chemical Property Profile of Isobutyl 3-chloropropionate
Property Insights of Isobutyl 3-chloropropionate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl 3-chloropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl 3-chloropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 3-chloropropionate 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 Isobutyl 3-chloropropionate?
The CAS number of Isobutyl 3-chloropropionate is 62108-68-3.
What is the molecular formula of Isobutyl 3-chloropropionate?
The molecular formula of Isobutyl 3-chloropropionate is C7H13ClO2.
What is the molecular weight of Isobutyl 3-chloropropionate?
The molecular weight of Isobutyl 3-chloropropionate is 164.06 g/mol.
Where can I buy Isobutyl 3-chloropropionate?
You can request a quote for Isobutyl 3-chloropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 3-chloropropionate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 3-chloropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.