Methyl 3-methyl-1-benzoselenophene-2-carboxylate
TL;DR: Methyl 3-methyl-1-benzoselenophene-2-carboxylate (CAS 20984-13-8) is a chemical compound with molecular formula C11H10O2Se and molecular weight 253.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-1-benzoselenophene-2-carboxylate
Also Known As: Methyl 3-methyl-1-benzoselenophene-2-carboxylate, methyl 3-methylbenzo[b]selenophene-2-carboxylate, Methyl 3-methyl-1-benzoselenophene-2-carboxylate #, 3-Methylbenzo[b]selenophene-2-carboxylic acid methyl ester, Benzo[b]selenophene-2-carboxylic acid, 3-methyl-, methyl ester
| Molecular Formula | C11H10O2Se |
|---|---|
| Molecular Weight | 253.98 g/mol |
| LogP | 1.99182 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.9846 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 20984-13-8 |
|---|---|
| SMILES | CC1=C([Se]C2=CC=CC=C12)C(=O)OC |
| InChIKey | LVNAOJBTMSDEEQ-UHFFFAOYSA-N |
Product Overview
Methyl 3-methyl-1-benzoselenophene-2-carboxylate (CAS 20984-13-8), with molecular formula C11H10O2Se and molecular weight 253.98 g/mol. IUPAC: methyl 3-methyl-1-benzoselenophene-2-carboxylate.
Chemical Property Profile of Methyl 3-methyl-1-benzoselenophene-2-carboxylate
Property Insights of Methyl 3-methyl-1-benzoselenophene-2-carboxylate
The XLogP value of 1.99182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methyl-1-benzoselenophene-2-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-methyl-1-benzoselenophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methyl-1-benzoselenophene-2-carboxylate has 0 hydrogen bond donor(s) and 2 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 Methyl 3-methyl-1-benzoselenophene-2-carboxylate?
The CAS number of Methyl 3-methyl-1-benzoselenophene-2-carboxylate is 20984-13-8.
What is the molecular formula of Methyl 3-methyl-1-benzoselenophene-2-carboxylate?
The molecular formula of Methyl 3-methyl-1-benzoselenophene-2-carboxylate is C11H10O2Se.
What is the molecular weight of Methyl 3-methyl-1-benzoselenophene-2-carboxylate?
The molecular weight of Methyl 3-methyl-1-benzoselenophene-2-carboxylate is 253.98 g/mol.
Where can I buy Methyl 3-methyl-1-benzoselenophene-2-carboxylate?
You can request a quote for Methyl 3-methyl-1-benzoselenophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methyl-1-benzoselenophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-1-benzoselenophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.