3,5,5-三甲基己酰氯
TL;DR: 3,5,5-三甲基己酰氯 (CAS 41386-02-1) 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.
3,5,5-三甲基己酰氯
3,5,5-trimethylhexanoyl chloride
Also Known As: 3,5,5-Trimethylhexanoyl chloride, Isononanoyl chloride, Isononanoic acid chloride, 3,5,5-Trimethylhexanoylchloride, Hexanoyl chloride, 3,5,5-trimethyl-
| Molecular Formula | C9H17ClO |
|---|---|
| Molecular Weight | 176.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.09679 |
| Heavy Atoms | 11 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 41386-02-1 |
|---|---|
| SMILES | CC(CC(=O)Cl)CC(C)(C)C |
| InChIKey | GEKPNPPFAYJZRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5,5-三甲基己酰氯 (CAS 41386-02-1), with molecular formula C9H17ClO and molecular weight 176.10 g/mol. IUPAC: 3,5,5-trimethylhexanoyl chloride.
Chemical Property Profile of 3,5,5-三甲基己酰氯
Property Insights of 3,5,5-三甲基己酰氯
The XLogP value of 3.8 indicates that 3,5,5-三甲基己酰氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3,5,5-三甲基己酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-三甲基己酰氯 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 3,5,5-三甲基己酰氯?
The CAS number of 3,5,5-三甲基己酰氯 is 41386-02-1.
What is the molecular formula of 3,5,5-三甲基己酰氯?
The molecular formula of 3,5,5-三甲基己酰氯 is C9H17ClO.
What is the molecular weight of 3,5,5-三甲基己酰氯?
The molecular weight of 3,5,5-三甲基己酰氯 is 176.10 g/mol.
Where can I buy 3,5,5-三甲基己酰氯?
You can request a quote for 3,5,5-三甲基己酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-三甲基己酰氯?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-三甲基己酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.