4-Azido-2-phenylmethanesulfinyl-benzonitrile
TL;DR: 4-Azido-2-phenylmethanesulfinyl-benzonitrile (CAS 496927-07-2) is a chemical compound with molecular formula C14H10N4OS and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-azido-2-benzylsulfinylbenzonitrile
Also Known As: 4-azido-2-benzylsulfinylbenzonitrile, 4-AZIDO-2-PHENYLMETHANESULFINYLBENZONITRILE, 4-Azido-2-phenylmethanesulfinyl-benzonitrile, 4-azido-2-(benzylsulfinyl)benzonitrile, 4-azido-2-benzylsulfinyl-benzonitrile
| Molecular Formula | C14H10N4OS |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.05753 |
| Heavy Atoms | 20 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 496927-07-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)C2=C(C=CC(=C2)N=[N+]=[N-])C#N |
| InChIKey | AKCFZMFUGCUXMT-UHFFFAOYSA-N |
Product Overview
4-Azido-2-phenylmethanesulfinyl-benzonitrile (CAS 496927-07-2), with molecular formula C14H10N4OS and molecular weight 282.06 g/mol. IUPAC: 4-azido-2-benzylsulfinylbenzonitrile.
Chemical Property Profile of 4-Azido-2-phenylmethanesulfinyl-benzonitrile
Property Insights of 4-Azido-2-phenylmethanesulfinyl-benzonitrile
The XLogP value of 3.3 indicates that 4-Azido-2-phenylmethanesulfinyl-benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Azido-2-phenylmethanesulfinyl-benzonitrile. Following Lipinski's Rule of Five, 4-Azido-2-phenylmethanesulfinyl-benzonitrile has 0 hydrogen bond donor(s) and 5 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-Azido-2-phenylmethanesulfinyl-benzonitrile?
The CAS number of 4-Azido-2-phenylmethanesulfinyl-benzonitrile is 496927-07-2.
What is the molecular formula of 4-Azido-2-phenylmethanesulfinyl-benzonitrile?
The molecular formula of 4-Azido-2-phenylmethanesulfinyl-benzonitrile is C14H10N4OS.
What is the molecular weight of 4-Azido-2-phenylmethanesulfinyl-benzonitrile?
The molecular weight of 4-Azido-2-phenylmethanesulfinyl-benzonitrile is 282.06 g/mol.
Where can I buy 4-Azido-2-phenylmethanesulfinyl-benzonitrile?
You can request a quote for 4-Azido-2-phenylmethanesulfinyl-benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Azido-2-phenylmethanesulfinyl-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Azido-2-phenylmethanesulfinyl-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.