4-溴-3-羟基噻吩-2-甲酸甲酯
TL;DR: 4-溴-3-羟基噻吩-2-甲酸甲酯 (CAS 95201-93-7) is a chemical compound with molecular formula C6H5BrO3S and molecular weight 235.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-溴-3-羟基噻吩-2-甲酸甲酯
methyl 4-bromo-3-hydroxythiophene-2-carboxylate
Also Known As: methyl 4-bromo-3-hydroxythiophene-2-carboxylate, Maybridge1_004012, 2-Thiophenecarboxylic acid, 4-bromo-3-hydroxy-, methyl ester, 4-Bromo-3-hydroxy-2-(methoxycarbonyl)thiophene, methyl4-bromo-3-hydroxythiophene-2-carboxylate
| Molecular Formula | C6H5BrO3S |
|---|---|
| Molecular Weight | 235.91 g/mol |
| LogP | 2.0028 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.91428 |
| Heavy Atoms | 11 |
| Complexity | 281.3548 |
Chemical Identifiers
| CAS Number | 95201-93-7 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CS1)Br)O |
Product Overview
4-溴-3-羟基噻吩-2-甲酸甲酯 (CAS 95201-93-7), with molecular formula C6H5BrO3S and molecular weight 235.91 g/mol. IUPAC: methyl 4-bromo-3-hydroxythiophene-2-carboxylate.
Chemical Property Profile of 4-溴-3-羟基噻吩-2-甲酸甲酯
Property Insights of 4-溴-3-羟基噻吩-2-甲酸甲酯
The XLogP value of 2.0028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-溴-3-羟基噻吩-2-甲酸甲酯. With a topological polar surface area (TPSA) of 46.53 Ų, 4-溴-3-羟基噻吩-2-甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-溴-3-羟基噻吩-2-甲酸甲酯 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 4-溴-3-羟基噻吩-2-甲酸甲酯?
The CAS number of 4-溴-3-羟基噻吩-2-甲酸甲酯 is 95201-93-7.
What is the molecular formula of 4-溴-3-羟基噻吩-2-甲酸甲酯?
The molecular formula of 4-溴-3-羟基噻吩-2-甲酸甲酯 is C6H5BrO3S.
What is the molecular weight of 4-溴-3-羟基噻吩-2-甲酸甲酯?
The molecular weight of 4-溴-3-羟基噻吩-2-甲酸甲酯 is 235.91 g/mol.
Where can I buy 4-溴-3-羟基噻吩-2-甲酸甲酯?
You can request a quote for 4-溴-3-羟基噻吩-2-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-羟基噻吩-2-甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 4-溴-3-羟基噻吩-2-甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.