7-甲基-4-茚满甲腈
TL;DR: 7-甲基-4-茚满甲腈 (CAS 15085-20-8) is a chemical compound with molecular formula C11H11N and molecular weight 157.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-甲基-4-茚满甲腈
7-methyl-2,3-dihydro-1H-indene-4-carbonitrile
Also Known As: 4-CYANO-7-METHYLINDAN, 7-Methyl-4-indancarbonitrile, 2,3-Dihydro-7-methyl-1H-indene-4-carbonitrile, 4-Cyano-7-methylhydrindene, 7-methyl-2,3-dihydro-1H-indene-4-carbonitrile
| Molecular Formula | C11H11N |
|---|---|
| Molecular Weight | 157.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.08914 |
| Heavy Atoms | 12 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 15085-20-8 |
|---|---|
| SMILES | CC1=C2CCCC2=C(C=C1)C#N |
| InChIKey | DGRBGVCXMGQYPE-UHFFFAOYSA-N |
Product Overview
7-甲基-4-茚满甲腈 (CAS 15085-20-8), with molecular formula C11H11N and molecular weight 157.09 g/mol. IUPAC: 7-methyl-2,3-dihydro-1H-indene-4-carbonitrile.
Chemical Property Profile of 7-甲基-4-茚满甲腈
Property Insights of 7-甲基-4-茚满甲腈
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-甲基-4-茚满甲腈. With a topological polar surface area (TPSA) of 23.8 Ų, 7-甲基-4-茚满甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-甲基-4-茚满甲腈 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 7-甲基-4-茚满甲腈?
The CAS number of 7-甲基-4-茚满甲腈 is 15085-20-8.
What is the molecular formula of 7-甲基-4-茚满甲腈?
The molecular formula of 7-甲基-4-茚满甲腈 is C11H11N.
What is the molecular weight of 7-甲基-4-茚满甲腈?
The molecular weight of 7-甲基-4-茚满甲腈 is 157.09 g/mol.
Where can I buy 7-甲基-4-茚满甲腈?
You can request a quote for 7-甲基-4-茚满甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-甲基-4-茚满甲腈?
Yes, KEHONG BIO provides custom synthesis services for 7-甲基-4-茚满甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.