Niazirin
TL;DR: Niazirin (CAS 122001-32-5) is a chemical compound with molecular formula C14H17NO5 and molecular weight 279.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetonitrile
Also Known As: niazirin, Niazirine, 4-(Rhamnosyloxy)phenylacetonitrile, 4-RMOPAN, 4-(alpha-L-Rhamnosyloxy)phenylacetonitrile
| Molecular Formula | C14H17NO5 |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.1107 |
| Heavy Atoms | 20 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 122001-32-5 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CC#N)O)O)O |
| InChIKey | OBJREHLZEIEGDU-CNJBRALLSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Niazirin (CAS 122001-32-5), with molecular formula C14H17NO5 and molecular weight 279.11 g/mol. IUPAC: 2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetonitrile.
Chemical Property Profile of Niazirin
Property Insights of Niazirin
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Niazirin. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Niazirin. Following Lipinski's Rule of Five, Niazirin has 3 hydrogen bond donor(s) and 6 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 Niazirin?
The CAS number of Niazirin is 122001-32-5.
What is the molecular formula of Niazirin?
The molecular formula of Niazirin is C14H17NO5.
What is the molecular weight of Niazirin?
The molecular weight of Niazirin is 279.11 g/mol.
Where can I buy Niazirin?
You can request a quote for Niazirin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Niazirin?
Yes, KEHONG BIO provides custom synthesis services for Niazirin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.