isobutyl (S)-2-chloropropionate
TL;DR: isobutyl (S)-2-chloropropionate (CAS 83261-15-8) 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 (2S)-2-chloropropanoate
Also Known As: Isobutyl (S)-2-chloropropionate, (S)-Isobutyl-2-chloropropanoate, 2-methylpropyl (2S)-2-chloropropanoate, Isobutyl 2-chloropropanoate, -Isobutyl-2-chloropropanoate
| Molecular Formula | C7H13ClO2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.06041 |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 83261-15-8 |
|---|---|
| SMILES | C[C@@H](C(=O)OCC(C)C)Cl |
| InChIKey | AEEGJNJYJCGJFZ-LURJTMIESA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
isobutyl (S)-2-chloropropionate (CAS 83261-15-8), with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol. IUPAC: 2-methylpropyl (2S)-2-chloropropanoate.
Chemical Property Profile of isobutyl (S)-2-chloropropionate
Property Insights of isobutyl (S)-2-chloropropionate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isobutyl (S)-2-chloropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, isobutyl (S)-2-chloropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, isobutyl (S)-2-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 (S)-2-chloropropionate?
The CAS number of isobutyl (S)-2-chloropropionate is 83261-15-8.
What is the molecular formula of isobutyl (S)-2-chloropropionate?
The molecular formula of isobutyl (S)-2-chloropropionate is C7H13ClO2.
What is the molecular weight of isobutyl (S)-2-chloropropionate?
The molecular weight of isobutyl (S)-2-chloropropionate is 164.06 g/mol.
Where can I buy isobutyl (S)-2-chloropropionate?
You can request a quote for isobutyl (S)-2-chloropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isobutyl (S)-2-chloropropionate?
Yes, KEHONG BIO provides custom synthesis services for isobutyl (S)-2-chloropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.