3-Methyl-1-benzoselenophene-2-carbonitrile
TL;DR: 3-Methyl-1-benzoselenophene-2-carbonitrile (CAS 37007-55-9) is a chemical compound with molecular formula C10H7NSe and molecular weight 220.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-benzoselenophene-2-carbonitrile
Also Known As: 3-Methyl-1-benzoselenophene-2-carbonitrile, 2-Cyano-3-methylbenzo[b]selenophene, 3-Methylbenzo[b]selenophene-2-carbonitrile, Benzo[b]selenophene-2-carbonitrile, 3-methyl-, 3-Methyl-1-benzoselenophene-2-carbonitrile #
| Molecular Formula | C10H7NSe |
|---|---|
| Molecular Weight | 220.97 g/mol |
| LogP | 2.0769 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.97437 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 37007-55-9 |
|---|---|
| SMILES | CC1=C([Se]C2=CC=CC=C12)C#N |
| InChIKey | DWWZMMPQDUDNPU-UHFFFAOYSA-N |
Product Overview
3-Methyl-1-benzoselenophene-2-carbonitrile (CAS 37007-55-9), with molecular formula C10H7NSe and molecular weight 220.97 g/mol. IUPAC: 3-methyl-1-benzoselenophene-2-carbonitrile.
Chemical Property Profile of 3-Methyl-1-benzoselenophene-2-carbonitrile
Property Insights of 3-Methyl-1-benzoselenophene-2-carbonitrile
The XLogP value of 2.0769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-benzoselenophene-2-carbonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 3-Methyl-1-benzoselenophene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-benzoselenophene-2-carbonitrile has 0 hydrogen bond donor(s) and 1 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 3-Methyl-1-benzoselenophene-2-carbonitrile?
The CAS number of 3-Methyl-1-benzoselenophene-2-carbonitrile is 37007-55-9.
What is the molecular formula of 3-Methyl-1-benzoselenophene-2-carbonitrile?
The molecular formula of 3-Methyl-1-benzoselenophene-2-carbonitrile is C10H7NSe.
What is the molecular weight of 3-Methyl-1-benzoselenophene-2-carbonitrile?
The molecular weight of 3-Methyl-1-benzoselenophene-2-carbonitrile is 220.97 g/mol.
Where can I buy 3-Methyl-1-benzoselenophene-2-carbonitrile?
You can request a quote for 3-Methyl-1-benzoselenophene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-benzoselenophene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-benzoselenophene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.