2-甲基丁酰氯
TL;DR: 2-甲基丁酰氯 (CAS 57526-28-0) is a chemical compound with molecular formula C5H9ClO and molecular weight 120.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基丁酰氯
2-methylbutanoyl chloride
Also Known As: 2-Methylbutanoyl chloride, 2-Methylbutyryl chloride, Butanoyl chloride, 2-methyl-, dl-2-Methylbutyryl chloride, DL-2-Methylbutyrylchloride
| Molecular Formula | C5H9ClO |
|---|---|
| Molecular Weight | 120.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.034195 |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 57526-28-0 |
|---|---|
| SMILES | CCC(C)C(=O)Cl |
| InChIKey | XRPVXVRWIDOORM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基丁酰氯 (CAS 57526-28-0), with molecular formula C5H9ClO and molecular weight 120.03 g/mol. IUPAC: 2-methylbutanoyl chloride.
Chemical Property Profile of 2-甲基丁酰氯
Property Insights of 2-甲基丁酰氯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基丁酰氯. With a topological polar surface area (TPSA) of 17.1 Ų, 2-甲基丁酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基丁酰氯 has 0 hydrogen bond donor(s) and 1 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-甲基丁酰氯?
The CAS number of 2-甲基丁酰氯 is 57526-28-0.
What is the molecular formula of 2-甲基丁酰氯?
The molecular formula of 2-甲基丁酰氯 is C5H9ClO.
What is the molecular weight of 2-甲基丁酰氯?
The molecular weight of 2-甲基丁酰氯 is 120.03 g/mol.
Where can I buy 2-甲基丁酰氯?
You can request a quote for 2-甲基丁酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基丁酰氯?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基丁酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.