Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate
TL;DR: Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate (CAS 101511-48-2) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxy-3-(3-methylbut-2-enyl)benzoate
Also Known As: methyl 4-hydroxy-3-(3-methylbut-2-enyl)benzoate, Cid 127925, Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate, Methyl 4-hydroxy-3-(3-methyl-2-butenyl)benzoate, Phenol, 2-chloro-4-(3-methyl-3-butenyl)-
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 101511-48-2 |
|---|---|
| SMILES | CC(=CCC1=C(C=CC(=C1)C(=O)OC)O)C |
| InChIKey | VTTIBUAIXVAPKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate (CAS 101511-48-2), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: methyl 4-hydroxy-3-(3-methylbut-2-enyl)benzoate.
Chemical Property Profile of Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate
Property Insights of Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate
The XLogP value of 3.3 indicates that Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate 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 Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate?
The CAS number of Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate is 101511-48-2.
What is the molecular formula of Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate?
The molecular formula of Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate is C13H16O3.
What is the molecular weight of Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate?
The molecular weight of Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate is 220.11 g/mol.
Where can I buy Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate?
You can request a quote for Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.