4-溴-3,5-二羟基苯甲酸甲酯
TL;DR: 4-溴-3,5-二羟基苯甲酸甲酯 (CAS 34126-16-4) is a chemical compound with molecular formula C8H7BrO4 and molecular weight 245.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-溴-3,5-二羟基苯甲酸甲酯
methyl 4-bromo-3,5-dihydroxybenzoate
Also Known As: methyl 4-bromo-3,5-dihydroxybenzoate, methyl 4-bromo-3,5-dihydroxy-benzoate, methyl4-bromo-3,5-dihydroxybenzoate, 4-Bromo-3,5-dihydroxybenzoic acid methyl ester, Benzoic acid, 4-bromo-3,5-dihydroxy-, methyl ester
| Molecular Formula | C8H7BrO4 |
|---|---|
| Molecular Weight | 245.95 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.95277 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 34126-16-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C(=C1)O)Br)O |
| InChIKey | UXSHRKILYILVSD-UHFFFAOYSA-N |
Product Overview
4-溴-3,5-二羟基苯甲酸甲酯 (CAS 34126-16-4), with molecular formula C8H7BrO4 and molecular weight 245.95 g/mol. IUPAC: methyl 4-bromo-3,5-dihydroxybenzoate.
Chemical Property Profile of 4-溴-3,5-二羟基苯甲酸甲酯
Property Insights of 4-溴-3,5-二羟基苯甲酸甲酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-溴-3,5-二羟基苯甲酸甲酯. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-溴-3,5-二羟基苯甲酸甲酯. Following Lipinski's Rule of Five, 4-溴-3,5-二羟基苯甲酸甲酯 has 2 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 4-溴-3,5-二羟基苯甲酸甲酯?
The CAS number of 4-溴-3,5-二羟基苯甲酸甲酯 is 34126-16-4.
What is the molecular formula of 4-溴-3,5-二羟基苯甲酸甲酯?
The molecular formula of 4-溴-3,5-二羟基苯甲酸甲酯 is C8H7BrO4.
What is the molecular weight of 4-溴-3,5-二羟基苯甲酸甲酯?
The molecular weight of 4-溴-3,5-二羟基苯甲酸甲酯 is 245.95 g/mol.
Where can I buy 4-溴-3,5-二羟基苯甲酸甲酯?
You can request a quote for 4-溴-3,5-二羟基苯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-溴-3,5-二羟基苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 4-溴-3,5-二羟基苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.