二氯乙酸二异丙铵
TL;DR: 二氯乙酸二异丙铵 (CAS 660-27-5) is a chemical compound with molecular formula C8H17Cl2NO2 and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氯乙酸二异丙铵
2,2-dichloroacetic acid;N-propan-2-ylpropan-2-amine
Also Known As: Diisopropylammonium dichloroacetate, Vasculopatina, Diisopropylamine 2,2-dichloroacetate, Dipromonium, Oxypangam
| Molecular Formula | C8H17Cl2NO2 |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | 2.27 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.06363 |
| Heavy Atoms | 13 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 660-27-5 |
|---|---|
| SMILES | CC(C)NC(C)C.C(C(=O)O)(Cl)Cl |
| InChIKey | ILKBHIBYKSHTKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氯乙酸二异丙铵 (CAS 660-27-5), with molecular formula C8H17Cl2NO2 and molecular weight 229.06 g/mol. IUPAC: 2,2-dichloroacetic acid;N-propan-2-ylpropan-2-amine.
Chemical Property Profile of 二氯乙酸二异丙铵
Property Insights of 二氯乙酸二异丙铵
The XLogP value of 2.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氯乙酸二异丙铵. With a topological polar surface area (TPSA) of 49.3 Ų, 二氯乙酸二异丙铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氯乙酸二异丙铵 has 2 hydrogen bond donor(s) and 3 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 二氯乙酸二异丙铵?
The CAS number of 二氯乙酸二异丙铵 is 660-27-5.
What is the molecular formula of 二氯乙酸二异丙铵?
The molecular formula of 二氯乙酸二异丙铵 is C8H17Cl2NO2.
What is the molecular weight of 二氯乙酸二异丙铵?
The molecular weight of 二氯乙酸二异丙铵 is 229.06 g/mol.
Where can I buy 二氯乙酸二异丙铵?
You can request a quote for 二氯乙酸二异丙铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氯乙酸二异丙铵?
Yes, KEHONG BIO provides custom synthesis services for 二氯乙酸二异丙铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.