5-羟基-间伞花烃-6-甲酸
TL;DR: 5-羟基-间伞花烃-6-甲酸 (CAS 17479-65-1) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-羟基-间伞花烃-6-甲酸
2-hydroxy-6-methyl-4-propan-2-ylbenzoic acid
Also Known As: 5-Hydroxy-m-cymene-6-carboxylic acid, m-CYMENE-6-CARBOXYLIC ACID, 5-HYDROXY-, 2-Hydroxy-4-isopropyl-6-methylbenzoic acid, 2-hydroxy-6-methyl-4-propan-2-ylbenzoic acid, 4-10-00-00735 (Beilstein Handbook Reference)
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 17479-65-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)O)O)C(C)C |
| InChIKey | FJWIVROUSRYZLZ-UHFFFAOYSA-N |
Product Overview
5-羟基-间伞花烃-6-甲酸 (CAS 17479-65-1), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 2-hydroxy-6-methyl-4-propan-2-ylbenzoic acid.
Chemical Property Profile of 5-羟基-间伞花烃-6-甲酸
Property Insights of 5-羟基-间伞花烃-6-甲酸
The XLogP value of 3.1 indicates that 5-羟基-间伞花烃-6-甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 5-羟基-间伞花烃-6-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-羟基-间伞花烃-6-甲酸 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 5-羟基-间伞花烃-6-甲酸?
The CAS number of 5-羟基-间伞花烃-6-甲酸 is 17479-65-1.
What is the molecular formula of 5-羟基-间伞花烃-6-甲酸?
The molecular formula of 5-羟基-间伞花烃-6-甲酸 is C11H14O3.
What is the molecular weight of 5-羟基-间伞花烃-6-甲酸?
The molecular weight of 5-羟基-间伞花烃-6-甲酸 is 194.09 g/mol.
Where can I buy 5-羟基-间伞花烃-6-甲酸?
You can request a quote for 5-羟基-间伞花烃-6-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-羟基-间伞花烃-6-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-羟基-间伞花烃-6-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.