4-吗啉苯甲腈
TL;DR: 4-吗啉苯甲腈 (CAS 102910-15-6) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-吗啉苯甲腈
4-morpholin-4-ylbenzonitrile
Also Known As: 4-Morpholinobenzonitrile, 4-(4-Cyanophenyl)morpholine, 4-(morpholin-4-yl)benzonitrile, 4-morpholin-4-ylbenzonitrile, 4-(4-Morpholinyl)benzonitrile
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 102910-15-6 |
|---|---|
| SMILES | C1COCCN1C2=CC=C(C=C2)C#N |
| InChIKey | ZSCUWVQXQDCSRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-吗啉苯甲腈 (CAS 102910-15-6), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 4-morpholin-4-ylbenzonitrile.
Chemical Property Profile of 4-吗啉苯甲腈
Property Insights of 4-吗啉苯甲腈
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-吗啉苯甲腈. With a topological polar surface area (TPSA) of 36.3 Ų, 4-吗啉苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-吗啉苯甲腈 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 4-吗啉苯甲腈?
The CAS number of 4-吗啉苯甲腈 is 102910-15-6.
What is the molecular formula of 4-吗啉苯甲腈?
The molecular formula of 4-吗啉苯甲腈 is C11H12N2O.
What is the molecular weight of 4-吗啉苯甲腈?
The molecular weight of 4-吗啉苯甲腈 is 188.09 g/mol.
Where can I buy 4-吗啉苯甲腈?
You can request a quote for 4-吗啉苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-吗啉苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-吗啉苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.