Butyl 3-chloro-4-hydroxy-5-methoxybenzoate
TL;DR: Butyl 3-chloro-4-hydroxy-5-methoxybenzoate (CAS 6299-85-0) is a chemical compound with molecular formula C12H15ClO4 and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-chloro-4-hydroxy-5-methoxybenzoate
Also Known As: butyl 3-chloro-4-hydroxy-5-methoxybenzoate, butyl 3-chloro-4-hydroxy-5-methoxy-benzoate, 3-Chlor-4-hydroxy-5-methoxy-benzoesaeure-butylester
| Molecular Formula | C12H15ClO4 |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.0659 |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 6299-85-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC(=C(C(=C1)Cl)O)OC |
| InChIKey | DIVMDOLWRYXUNN-UHFFFAOYSA-N |
Product Overview
Butyl 3-chloro-4-hydroxy-5-methoxybenzoate (CAS 6299-85-0), with molecular formula C12H15ClO4 and molecular weight 258.07 g/mol. IUPAC: butyl 3-chloro-4-hydroxy-5-methoxybenzoate.
Chemical Property Profile of Butyl 3-chloro-4-hydroxy-5-methoxybenzoate
Property Insights of Butyl 3-chloro-4-hydroxy-5-methoxybenzoate
The XLogP value of 3.3 indicates that Butyl 3-chloro-4-hydroxy-5-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Butyl 3-chloro-4-hydroxy-5-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 3-chloro-4-hydroxy-5-methoxybenzoate has 1 hydrogen bond donor(s) and 4 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 Butyl 3-chloro-4-hydroxy-5-methoxybenzoate?
The CAS number of Butyl 3-chloro-4-hydroxy-5-methoxybenzoate is 6299-85-0.
What is the molecular formula of Butyl 3-chloro-4-hydroxy-5-methoxybenzoate?
The molecular formula of Butyl 3-chloro-4-hydroxy-5-methoxybenzoate is C12H15ClO4.
What is the molecular weight of Butyl 3-chloro-4-hydroxy-5-methoxybenzoate?
The molecular weight of Butyl 3-chloro-4-hydroxy-5-methoxybenzoate is 258.07 g/mol.
Where can I buy Butyl 3-chloro-4-hydroxy-5-methoxybenzoate?
You can request a quote for Butyl 3-chloro-4-hydroxy-5-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-chloro-4-hydroxy-5-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-chloro-4-hydroxy-5-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.