3-羟基-2-甲基-2-苯基己酸
TL;DR: 3-羟基-2-甲基-2-苯基己酸 (CAS 103053-08-3) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基-2-甲基-2-苯基己酸
3-hydroxy-2-methyl-2-phenylhexanoic acid
Also Known As: 3-hydroxy-2-methyl-2-phenylhexanoic acid, Benzeneacetic acid, a-(1-hydroxybutyl)-a-methyl-
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 103053-08-3 |
|---|---|
| SMILES | CCCC(C(C)(C1=CC=CC=C1)C(=O)O)O |
| InChIKey | XRHHBKJQHNRZHN-UHFFFAOYSA-N |
Product Overview
3-羟基-2-甲基-2-苯基己酸 (CAS 103053-08-3), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 3-hydroxy-2-methyl-2-phenylhexanoic acid.
Chemical Property Profile of 3-羟基-2-甲基-2-苯基己酸
Property Insights of 3-羟基-2-甲基-2-苯基己酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-羟基-2-甲基-2-苯基己酸. With a topological polar surface area (TPSA) of 57.5 Ų, 3-羟基-2-甲基-2-苯基己酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-羟基-2-甲基-2-苯基己酸 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 3-羟基-2-甲基-2-苯基己酸?
The CAS number of 3-羟基-2-甲基-2-苯基己酸 is 103053-08-3.
What is the molecular formula of 3-羟基-2-甲基-2-苯基己酸?
The molecular formula of 3-羟基-2-甲基-2-苯基己酸 is C13H18O3.
What is the molecular weight of 3-羟基-2-甲基-2-苯基己酸?
The molecular weight of 3-羟基-2-甲基-2-苯基己酸 is 222.13 g/mol.
Where can I buy 3-羟基-2-甲基-2-苯基己酸?
You can request a quote for 3-羟基-2-甲基-2-苯基己酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基-2-甲基-2-苯基己酸?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基-2-甲基-2-苯基己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.