2-乙基-4-(4-吗啉基)-2-苯基丁腈
TL;DR: 2-乙基-4-(4-吗啉基)-2-苯基丁腈 (CAS 2809-52-1) is a chemical compound with molecular formula C16H22N2O and molecular weight 258.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基-4-(4-吗啉基)-2-苯基丁腈
2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile
Also Known As: 2-(2-Morpholinoethyl)-2-phenylbutyronitrile, 2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile, BUTYRONITRILE, 2-(2-MORPHOLINOETHYL)-2-PHENYL-, 2-ETHYL-4-(MORPHOLIN-4-YL)-2-PHENYLBUTANENITRILE, alpha-Ethyl-alpha-phenyl-4-morpholinebutyronitrile
| Molecular Formula | C16H22N2O |
|---|---|
| Molecular Weight | 258.17 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.17322 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 2809-52-1 |
|---|---|
| SMILES | CCC(CCN1CCOCC1)(C#N)C2=CC=CC=C2 |
| InChIKey | RQNNBMVBEQZRGU-UHFFFAOYSA-N |
Product Overview
2-乙基-4-(4-吗啉基)-2-苯基丁腈 (CAS 2809-52-1), with molecular formula C16H22N2O and molecular weight 258.17 g/mol. IUPAC: 2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile.
Chemical Property Profile of 2-乙基-4-(4-吗啉基)-2-苯基丁腈
Property Insights of 2-乙基-4-(4-吗啉基)-2-苯基丁腈
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙基-4-(4-吗啉基)-2-苯基丁腈. With a topological polar surface area (TPSA) of 36.3 Ų, 2-乙基-4-(4-吗啉基)-2-苯基丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基-4-(4-吗啉基)-2-苯基丁腈 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 2-乙基-4-(4-吗啉基)-2-苯基丁腈?
The CAS number of 2-乙基-4-(4-吗啉基)-2-苯基丁腈 is 2809-52-1.
What is the molecular formula of 2-乙基-4-(4-吗啉基)-2-苯基丁腈?
The molecular formula of 2-乙基-4-(4-吗啉基)-2-苯基丁腈 is C16H22N2O.
What is the molecular weight of 2-乙基-4-(4-吗啉基)-2-苯基丁腈?
The molecular weight of 2-乙基-4-(4-吗啉基)-2-苯基丁腈 is 258.17 g/mol.
Where can I buy 2-乙基-4-(4-吗啉基)-2-苯基丁腈?
You can request a quote for 2-乙基-4-(4-吗啉基)-2-苯基丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基-4-(4-吗啉基)-2-苯基丁腈?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基-4-(4-吗啉基)-2-苯基丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.