3-Methylbutyl 2-chloropropionate
TL;DR: 3-Methylbutyl 2-chloropropionate (CAS 62108-69-4) is a chemical compound with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 2-chloropropanoate
Also Known As: 3-Methylbutyl 2-chloropropionate, Isopentyl 2-chloropropanoate, 3-methylbutyl 2-chloropropanoate, Propanoic acid, 3-methylbutyl ester, Propanoic acid, 2-chloro-, 3-methylbutyl ester
| Molecular Formula | C8H15ClO2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.07605 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 62108-69-4 |
|---|---|
| SMILES | CC(C)CCOC(=O)C(C)Cl |
| InChIKey | KNERPDYJMKKKNT-UHFFFAOYSA-N |
Product Overview
3-Methylbutyl 2-chloropropionate (CAS 62108-69-4), with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol. IUPAC: 3-methylbutyl 2-chloropropanoate.
Chemical Property Profile of 3-Methylbutyl 2-chloropropionate
Property Insights of 3-Methylbutyl 2-chloropropionate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbutyl 2-chloropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylbutyl 2-chloropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutyl 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 3-Methylbutyl 2-chloropropionate?
The CAS number of 3-Methylbutyl 2-chloropropionate is 62108-69-4.
What is the molecular formula of 3-Methylbutyl 2-chloropropionate?
The molecular formula of 3-Methylbutyl 2-chloropropionate is C8H15ClO2.
What is the molecular weight of 3-Methylbutyl 2-chloropropionate?
The molecular weight of 3-Methylbutyl 2-chloropropionate is 178.08 g/mol.
Where can I buy 3-Methylbutyl 2-chloropropionate?
You can request a quote for 3-Methylbutyl 2-chloropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutyl 2-chloropropionate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyl 2-chloropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.