2,3-Dimethyl-2-isopropylbutyryl chloride
TL;DR: 2,3-Dimethyl-2-isopropylbutyryl chloride (CAS 51115-81-2) is a chemical compound with molecular formula C9H17ClO and molecular weight 176.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethyl-2-propan-2-ylbutanoyl chloride
Also Known As: 2,3-Dimethyl-2-isopropylbutyryl chloride, EINECS 256-988-0, 2,3-dimethyl-2-propan-2-ylbutanoyl chloride, 2-isopropyl-2,3-dimethylbutanoyl chloride, 2,3-dimethyl-2-isopropylbutyrylchloride
| Molecular Formula | C9H17ClO |
|---|---|
| Molecular Weight | 176.10 g/mol |
| LogP | 3.0701 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.09679 |
| Heavy Atoms | 11 |
| Complexity | 141.64172 |
Chemical Identifiers
| CAS Number | 51115-81-2 |
|---|---|
| SMILES | CC(C)C(C)(C(C)C)C(=O)Cl |
Product Overview
2,3-Dimethyl-2-isopropylbutyryl chloride (CAS 51115-81-2), with molecular formula C9H17ClO and molecular weight 176.10 g/mol. IUPAC: 2,3-dimethyl-2-propan-2-ylbutanoyl chloride.
Chemical Property Profile of 2,3-Dimethyl-2-isopropylbutyryl chloride
Property Insights of 2,3-Dimethyl-2-isopropylbutyryl chloride
The XLogP value of 3.0701 indicates that 2,3-Dimethyl-2-isopropylbutyryl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2,3-Dimethyl-2-isopropylbutyryl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethyl-2-isopropylbutyryl chloride 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 2,3-Dimethyl-2-isopropylbutyryl chloride?
The CAS number of 2,3-Dimethyl-2-isopropylbutyryl chloride is 51115-81-2.
What is the molecular formula of 2,3-Dimethyl-2-isopropylbutyryl chloride?
The molecular formula of 2,3-Dimethyl-2-isopropylbutyryl chloride is C9H17ClO.
What is the molecular weight of 2,3-Dimethyl-2-isopropylbutyryl chloride?
The molecular weight of 2,3-Dimethyl-2-isopropylbutyryl chloride is 176.10 g/mol.
Where can I buy 2,3-Dimethyl-2-isopropylbutyryl chloride?
You can request a quote for 2,3-Dimethyl-2-isopropylbutyryl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethyl-2-isopropylbutyryl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethyl-2-isopropylbutyryl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.