alpha(4-Bromophenyl)-4-morpholineacetonitrile
TL;DR: alpha(4-Bromophenyl)-4-morpholineacetonitrile (CAS 75382-07-9) is a chemical compound with molecular formula C12H13BrN2O and molecular weight 280.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
Also Known As: (4-Bromophenyl)morpholinoacetonitrile, 1-Benzolsulfamino-3-benzolsulfoxy-benzol, alpha(4-bromophenyl)-4-morpholineacetonitrile, alpha-(4-bromophenyl)-4-morpholineacetonitrile, 2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
| Molecular Formula | C12H13BrN2O |
|---|---|
| Molecular Weight | 280.02 g/mol |
| LogP | 2.34598 |
| Topological Polar Surface Area | 36.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.02112 |
| Heavy Atoms | 16 |
| Complexity | 379.0004 |
Chemical Identifiers
| CAS Number | 75382-07-9 |
|---|---|
| SMILES | C1COCCN1C(C#N)C2=CC=C(C=C2)Br |
Product Overview
alpha(4-Bromophenyl)-4-morpholineacetonitrile (CAS 75382-07-9), with molecular formula C12H13BrN2O and molecular weight 280.02 g/mol. IUPAC: 2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile.
Chemical Property Profile of alpha(4-Bromophenyl)-4-morpholineacetonitrile
Property Insights of alpha(4-Bromophenyl)-4-morpholineacetonitrile
The XLogP value of 2.34598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha(4-Bromophenyl)-4-morpholineacetonitrile. With a topological polar surface area (TPSA) of 36.26 Ų, alpha(4-Bromophenyl)-4-morpholineacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha(4-Bromophenyl)-4-morpholineacetonitrile 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 alpha(4-Bromophenyl)-4-morpholineacetonitrile?
The CAS number of alpha(4-Bromophenyl)-4-morpholineacetonitrile is 75382-07-9.
What is the molecular formula of alpha(4-Bromophenyl)-4-morpholineacetonitrile?
The molecular formula of alpha(4-Bromophenyl)-4-morpholineacetonitrile is C12H13BrN2O.
What is the molecular weight of alpha(4-Bromophenyl)-4-morpholineacetonitrile?
The molecular weight of alpha(4-Bromophenyl)-4-morpholineacetonitrile is 280.02 g/mol.
Where can I buy alpha(4-Bromophenyl)-4-morpholineacetonitrile?
You can request a quote for alpha(4-Bromophenyl)-4-morpholineacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha(4-Bromophenyl)-4-morpholineacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha(4-Bromophenyl)-4-morpholineacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.