3,3-二甲基-8-氟辛酸
TL;DR: 3,3-二甲基-8-氟辛酸 (CAS 333-33-5) is a chemical compound with molecular formula C10H19FO2 and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-二甲基-8-氟辛酸
8-fluoro-4,4-dimethyloctanoic acid
Also Known As: 8-fluoro-4,4-dimethyloctanoic acid, 8-Fluoro-3,3-dimethyloctanoic acid, OCTANOIC ACID, 3,3-DIMETHYL-8-FLUORO-, OCTANOIC ACID,3,3-DIMETHYL-8-FLUORO, 4-02-00-01063 (Beilstein Handbook Reference)
| Molecular Formula | C10H19FO2 |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 190.1369 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 333-33-5 |
|---|---|
| SMILES | CC(C)(CCCCF)CCC(=O)O |
| InChIKey | LLJMYCREEQNSLU-UHFFFAOYSA-N |
Product Overview
3,3-二甲基-8-氟辛酸 (CAS 333-33-5), with molecular formula C10H19FO2 and molecular weight 190.14 g/mol. IUPAC: 8-fluoro-4,4-dimethyloctanoic acid.
Chemical Property Profile of 3,3-二甲基-8-氟辛酸
Property Insights of 3,3-二甲基-8-氟辛酸
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-二甲基-8-氟辛酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3,3-二甲基-8-氟辛酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-二甲基-8-氟辛酸 has 1 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 3,3-二甲基-8-氟辛酸?
The CAS number of 3,3-二甲基-8-氟辛酸 is 333-33-5.
What is the molecular formula of 3,3-二甲基-8-氟辛酸?
The molecular formula of 3,3-二甲基-8-氟辛酸 is C10H19FO2.
What is the molecular weight of 3,3-二甲基-8-氟辛酸?
The molecular weight of 3,3-二甲基-8-氟辛酸 is 190.14 g/mol.
Where can I buy 3,3-二甲基-8-氟辛酸?
You can request a quote for 3,3-二甲基-8-氟辛酸 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-8-氟辛酸?
Yes, KEHONG BIO provides custom synthesis services for 3,3-二甲基-8-氟辛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.