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Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester
TL;DR: Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester (CAS 39857-44-8) is a chemical compound with molecular formula C12H12O3Se and molecular weight 284.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methoxy-1-benzoselenophene-2-carboxylate
Also Known As: Ethyl 3-methoxy-1-benzoselenophene-2-carboxylate, 3-Methoxybenzo[b]selenophene-2-carboxylicacidethylester, Ethyl 3-methoxy-1-benzoselenophene-2-carboxylate #, Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester, 3-Methoxybenzo[b]selenophene-2-carboxylic acid ethyl ester
| Molecular Formula | C12H12O3Se |
|---|---|
| Molecular Weight | 284.00 g/mol |
| LogP | 2.0821 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.99518 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 39857-44-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2[Se]1)OC |
| InChIKey | GTKXSGBZAZBWLJ-UHFFFAOYSA-N |
Product Overview
Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester (CAS 39857-44-8), with molecular formula C12H12O3Se and molecular weight 284.00 g/mol. IUPAC: ethyl 3-methoxy-1-benzoselenophene-2-carboxylate.
Chemical Property Profile of Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester
Property Insights of Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester
The XLogP value of 2.0821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester has 0 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 Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester?
The CAS number of Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester is 39857-44-8.
What is the molecular formula of Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester?
The molecular formula of Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester is C12H12O3Se.
What is the molecular weight of Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester?
The molecular weight of Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester is 284.00 g/mol.
Where can I buy Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester?
You can request a quote for Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]selenophene-2-carboxylic acid, 3-methoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.