五甲基苯甲腈
TL;DR: 五甲基苯甲腈 (CAS 5144-10-5) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
五甲基苯甲腈
2,3,4,5,6-pentamethylbenzonitrile
Also Known As: Pentamethylbenzonitrile, 2,3,4,5,6-pentamethylbenzonitrile, 6-Aminobutyric Acid, Pentamethylbenzonitril, Benzonitrile,2,3,4,5,6-pentamethyl-
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 5144-10-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)C#N)C)C |
| InChIKey | NCDPYDGGUAKABA-UHFFFAOYSA-N |
Product Overview
五甲基苯甲腈 (CAS 5144-10-5), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 2,3,4,5,6-pentamethylbenzonitrile.
Chemical Property Profile of 五甲基苯甲腈
Property Insights of 五甲基苯甲腈
The XLogP value of 3.5 indicates that 五甲基苯甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 五甲基苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 五甲基苯甲腈 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 五甲基苯甲腈?
The CAS number of 五甲基苯甲腈 is 5144-10-5.
What is the molecular formula of 五甲基苯甲腈?
The molecular formula of 五甲基苯甲腈 is C12H15N.
What is the molecular weight of 五甲基苯甲腈?
The molecular weight of 五甲基苯甲腈 is 173.12 g/mol.
Where can I buy 五甲基苯甲腈?
You can request a quote for 五甲基苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 五甲基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 五甲基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.