![4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide structure](/static/products/7012/701222-06-2.webp)
4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide
TL;DR: 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide (CAS 701222-06-2) is a chemical compound with molecular formula C23H20N2OS and molecular weight 372.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide
Also Known As: 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide, 4-[(benzylsulfanyl)methyl]-N-[4-(cyanomethyl)phenyl]benzamide
| Molecular Formula | C23H20N2OS |
|---|---|
| Molecular Weight | 372.13 g/mol |
| LogP | 5.43838 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.12964 |
| Heavy Atoms | 27 |
| Complexity | 913.3471 |
Chemical Identifiers
| CAS Number | 701222-06-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N |
Product Overview
4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide (CAS 701222-06-2), with molecular formula C23H20N2OS and molecular weight 372.13 g/mol. IUPAC: 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide.
Chemical Property Profile of 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide
Property Insights of 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide
The XLogP value of 5.43838 indicates that 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide?
The CAS number of 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide is 701222-06-2.
What is the molecular formula of 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide?
The molecular formula of 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide is C23H20N2OS.
What is the molecular weight of 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide?
The molecular weight of 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide is 372.13 g/mol.
Where can I buy 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide?
You can request a quote for 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(benzylsulfanylmethyl)-N-[4-(cyanomethyl)phenyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.