N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide
TL;DR: N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide (CAS 335203-94-6) is a chemical compound with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(cyanomethyl)-2-methoxy-4-methylsulfanylbenzamide
Also Known As: BAS 02256039, N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide, N,N-bis(cyanomethyl)-2-methoxy-4-methylsulfanylbenzamide, N,N-Bis-cyanomethyl-2-methoxy-4-methylsulfanyl-benzamide, N,N-bis(cyanomethyl)(2-methoxy-4-methylthiophenyl)carboxamide
| Molecular Formula | C13H13N3O2S |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.07285 |
| Heavy Atoms | 19 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 335203-94-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)SC)C(=O)N(CC#N)CC#N |
| InChIKey | TYLUASVNIRORRT-UHFFFAOYSA-N |
Product Overview
N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide (CAS 335203-94-6), with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol. IUPAC: N,N-bis(cyanomethyl)-2-methoxy-4-methylsulfanylbenzamide.
Chemical Property Profile of N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide
Property Insights of N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide. Following Lipinski's Rule of Five, N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide 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 N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide?
The CAS number of N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide is 335203-94-6.
What is the molecular formula of N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide?
The molecular formula of N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide is C13H13N3O2S.
What is the molecular weight of N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide?
The molecular weight of N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide is 275.07 g/mol.
Where can I buy N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide?
You can request a quote for N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(cyanomethyl)-2-methoxy-4-(methylsulfanyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.