3-甲基-2-丁烯酰氯
TL;DR: 3-甲基-2-丁烯酰氯 (CAS 3350-78-5) is a chemical compound with molecular formula C5H7ClO and molecular weight 118.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-2-丁烯酰氯
3-methylbut-2-enoyl chloride
Also Known As: 3,3-Dimethylacryloyl chloride, 3-methylbut-2-enoyl chloride, 3-Methylcrotonoyl chloride, 3-Methyl-2-butenoyl chloride, 3-methyl-but-2-enoyl chloride
| Molecular Formula | C5H7ClO |
|---|---|
| Molecular Weight | 118.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.01854 |
| Heavy Atoms | 7 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 3350-78-5 |
|---|---|
| SMILES | CC(=CC(=O)Cl)C |
| InChIKey | BDUBTLFQHNYXPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-2-丁烯酰氯 (CAS 3350-78-5), with molecular formula C5H7ClO and molecular weight 118.02 g/mol. IUPAC: 3-methylbut-2-enoyl chloride.
Chemical Property Profile of 3-甲基-2-丁烯酰氯
Property Insights of 3-甲基-2-丁烯酰氯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基-2-丁烯酰氯. With a topological polar surface area (TPSA) of 17.1 Ų, 3-甲基-2-丁烯酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-2-丁烯酰氯 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 3-甲基-2-丁烯酰氯?
The CAS number of 3-甲基-2-丁烯酰氯 is 3350-78-5.
What is the molecular formula of 3-甲基-2-丁烯酰氯?
The molecular formula of 3-甲基-2-丁烯酰氯 is C5H7ClO.
What is the molecular weight of 3-甲基-2-丁烯酰氯?
The molecular weight of 3-甲基-2-丁烯酰氯 is 118.02 g/mol.
Where can I buy 3-甲基-2-丁烯酰氯?
You can request a quote for 3-甲基-2-丁烯酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-2-丁烯酰氯?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-2-丁烯酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.