3,3-二甲基丁酰氯
TL;DR: 3,3-二甲基丁酰氯 (CAS 7065-46-5) is a chemical compound with molecular formula C6H11ClO and molecular weight 134.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-二甲基丁酰氯
3,3-dimethylbutanoyl chloride
Also Known As: 3,3-Dimethylbutyryl chloride, 3,3-dimethylbutanoyl chloride, tert-Butylacetyl chloride, t-Butylacetyl chloride, neohexanoyl chloride
| Molecular Formula | C6H11ClO |
|---|---|
| Molecular Weight | 134.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.04984 |
| Heavy Atoms | 8 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 7065-46-5 |
|---|---|
| SMILES | CC(C)(C)CC(=O)Cl |
| InChIKey | BUTKIHRNYUEGKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-二甲基丁酰氯 (CAS 7065-46-5), with molecular formula C6H11ClO and molecular weight 134.05 g/mol. IUPAC: 3,3-dimethylbutanoyl chloride.
Chemical Property Profile of 3,3-二甲基丁酰氯
Property Insights of 3,3-二甲基丁酰氯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-二甲基丁酰氯. With a topological polar surface area (TPSA) of 17.1 Ų, 3,3-二甲基丁酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-二甲基丁酰氯 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 3,3-二甲基丁酰氯?
The CAS number of 3,3-二甲基丁酰氯 is 7065-46-5.
What is the molecular formula of 3,3-二甲基丁酰氯?
The molecular formula of 3,3-二甲基丁酰氯 is C6H11ClO.
What is the molecular weight of 3,3-二甲基丁酰氯?
The molecular weight of 3,3-二甲基丁酰氯 is 134.05 g/mol.
Where can I buy 3,3-二甲基丁酰氯?
You can request a quote for 3,3-二甲基丁酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-二甲基丁酰氯?
Yes, KEHONG BIO provides custom synthesis services for 3,3-二甲基丁酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.