5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid
TL;DR: 5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid (CAS 90404-13-0) is a chemical compound with molecular formula C9H10O4Se and molecular weight 261.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxycarbonyl-3,4-dimethylselenophene-2-carboxylic acid
Also Known As: 5-(methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid, AI-942/25034671, 5-methoxycarbonyl-3,4-dimethylselenophene-2-carboxylic acid
| Molecular Formula | C9H10O4Se |
|---|---|
| Molecular Weight | 261.97 g/mol |
| LogP | 0.84524 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.97443 |
| Heavy Atoms | 14 |
| Complexity | 391.76138 |
Chemical Identifiers
| CAS Number | 90404-13-0 |
|---|---|
| SMILES | CC1=C([Se]C(=C1C)C(=O)OC)C(=O)O |
Product Overview
5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid (CAS 90404-13-0), with molecular formula C9H10O4Se and molecular weight 261.97 g/mol. IUPAC: 5-methoxycarbonyl-3,4-dimethylselenophene-2-carboxylic acid.
Chemical Property Profile of 5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid
Property Insights of 5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid
The XLogP value of 0.84524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid. Following Lipinski's Rule of Five, 5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid 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 5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid?
The CAS number of 5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid is 90404-13-0.
What is the molecular formula of 5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid?
The molecular formula of 5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid is C9H10O4Se.
What is the molecular weight of 5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid?
The molecular weight of 5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid is 261.97 g/mol.
Where can I buy 5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid?
You can request a quote for 5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methoxycarbonyl)-3,4-dimethylselenophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.