3-氯-2,2-二甲基丙酰氯
TL;DR: 3-氯-2,2-二甲基丙酰氯 (CAS 4300-97-4) is a chemical compound with molecular formula C5H8Cl2O and molecular weight 154.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯-2,2-二甲基丙酰氯
3-chloro-2,2-dimethylpropanoyl chloride
Also Known As: 3-Chloropivaloyl chloride, Fenaclonum, 3-chloro-2,2-dimethylpropanoyl chloride, 3-Chloro-2,2-dimethylpropionyl chloride, CHLOROPIVALOYL CHLORIDE
| Molecular Formula | C5H8Cl2O |
|---|---|
| Molecular Weight | 154.00 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 | 153.99522 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
| Flash Point | about 21.1 °C |
Chemical Identifiers
| CAS Number | 4300-97-4 |
|---|---|
| SMILES | CC(C)(CCl)C(=O)Cl |
| InChIKey | MQZNDDUMJVSIMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯-2,2-二甲基丙酰氯 (CAS 4300-97-4), with molecular formula C5H8Cl2O and molecular weight 154.00 g/mol. IUPAC: 3-chloro-2,2-dimethylpropanoyl chloride.
Chemical Property Profile of 3-氯-2,2-二甲基丙酰氯
Property Insights of 3-氯-2,2-二甲基丙酰氯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯-2,2-二甲基丙酰氯. With a topological polar surface area (TPSA) of 17.1 Ų, 3-氯-2,2-二甲基丙酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯-2,2-二甲基丙酰氯 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-氯-2,2-二甲基丙酰氯?
The CAS number of 3-氯-2,2-二甲基丙酰氯 is 4300-97-4.
What is the molecular formula of 3-氯-2,2-二甲基丙酰氯?
The molecular formula of 3-氯-2,2-二甲基丙酰氯 is C5H8Cl2O.
What is the molecular weight of 3-氯-2,2-二甲基丙酰氯?
The molecular weight of 3-氯-2,2-二甲基丙酰氯 is 154.00 g/mol.
Where can I buy 3-氯-2,2-二甲基丙酰氯?
You can request a quote for 3-氯-2,2-二甲基丙酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯-2,2-二甲基丙酰氯?
Yes, KEHONG BIO provides custom synthesis services for 3-氯-2,2-二甲基丙酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.