6-烯丙基-3-羟基对伞花烃-2-甲酸
TL;DR: 6-烯丙基-3-羟基对伞花烃-2-甲酸 (CAS 101077-09-2) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-烯丙基-3-羟基对伞花烃-2-甲酸
2-hydroxy-6-methyl-3-propan-2-yl-5-prop-2-enylbenzoic acid
Also Known As: 6-Allyl-3-hydroxy-p-cymeme-2-carboxylic acid, p-CYMEME-2-CARBOXYLIC ACID, 6-ALLYL-3-HYDROXY-, 3-Hydroxy-6-allyl-p-cymene-2-carboxylic acid, 6-Allyl-3-hydroxy-p-cymene-2-carboxylic acid, 2-hydroxy-6-methyl-3-propan-2-yl-5-prop-2-enylbenzoic acid
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 101077-09-2 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1CC=C)C(C)C)O)C(=O)O |
| InChIKey | MYBSMVQMPYKREA-UHFFFAOYSA-N |
Product Overview
6-烯丙基-3-羟基对伞花烃-2-甲酸 (CAS 101077-09-2), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: 2-hydroxy-6-methyl-3-propan-2-yl-5-prop-2-enylbenzoic acid.
Chemical Property Profile of 6-烯丙基-3-羟基对伞花烃-2-甲酸
Property Insights of 6-烯丙基-3-羟基对伞花烃-2-甲酸
The XLogP value of 4.2 indicates that 6-烯丙基-3-羟基对伞花烃-2-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, 6-烯丙基-3-羟基对伞花烃-2-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-烯丙基-3-羟基对伞花烃-2-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 6-烯丙基-3-羟基对伞花烃-2-甲酸?
The CAS number of 6-烯丙基-3-羟基对伞花烃-2-甲酸 is 101077-09-2.
What is the molecular formula of 6-烯丙基-3-羟基对伞花烃-2-甲酸?
The molecular formula of 6-烯丙基-3-羟基对伞花烃-2-甲酸 is C14H18O3.
What is the molecular weight of 6-烯丙基-3-羟基对伞花烃-2-甲酸?
The molecular weight of 6-烯丙基-3-羟基对伞花烃-2-甲酸 is 234.13 g/mol.
Where can I buy 6-烯丙基-3-羟基对伞花烃-2-甲酸?
You can request a quote for 6-烯丙基-3-羟基对伞花烃-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-烯丙基-3-羟基对伞花烃-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 6-烯丙基-3-羟基对伞花烃-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.