对伞花烃-2-甲酸3-丙氧基
TL;DR: 对伞花烃-2-甲酸3-丙氧基 (CAS 53206-94-3) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对伞花烃-2-甲酸3-丙氧基
6-methyl-3-propan-2-yl-2-propoxybenzoic acid
Also Known As: p-CYMENE-2-CARBOXYLIC ACID, 3-PROPOXY-, Benzoic acid, 3-isopropyl-2-propoxy-6-methyl-, 3-Propoxy-p-cymene-2-carboxylic acid, 6-methyl-3-propan-2-yl-2-propoxybenzoic acid, 6-methyl-3-(propan-2-yl)-2-propoxybenzoic acid
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 53206-94-3 |
|---|---|
| SMILES | CCCOC1=C(C=CC(=C1C(=O)O)C)C(C)C |
| InChIKey | FUKGUAVFRQEKLQ-UHFFFAOYSA-N |
Product Overview
对伞花烃-2-甲酸3-丙氧基 (CAS 53206-94-3), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: 6-methyl-3-propan-2-yl-2-propoxybenzoic acid.
Chemical Property Profile of 对伞花烃-2-甲酸3-丙氧基
Property Insights of 对伞花烃-2-甲酸3-丙氧基
The XLogP value of 3.8 indicates that 对伞花烃-2-甲酸3-丙氧基 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 对伞花烃-2-甲酸3-丙氧基 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对伞花烃-2-甲酸3-丙氧基 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 对伞花烃-2-甲酸3-丙氧基?
The CAS number of 对伞花烃-2-甲酸3-丙氧基 is 53206-94-3.
What is the molecular formula of 对伞花烃-2-甲酸3-丙氧基?
The molecular formula of 对伞花烃-2-甲酸3-丙氧基 is C14H20O3.
What is the molecular weight of 对伞花烃-2-甲酸3-丙氧基?
The molecular weight of 对伞花烃-2-甲酸3-丙氧基 is 236.14 g/mol.
Where can I buy 对伞花烃-2-甲酸3-丙氧基?
You can request a quote for 对伞花烃-2-甲酸3-丙氧基 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对伞花烃-2-甲酸3-丙氧基?
Yes, KEHONG BIO provides custom synthesis services for 对伞花烃-2-甲酸3-丙氧基 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.