N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
TL;DR: N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide (CAS 865545-88-6) is a chemical compound with molecular formula C14H12N2OS and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
Also Known As: N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide, F1385-0050
| Molecular Formula | C14H12N2OS |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 3.48892 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.06705 |
| Heavy Atoms | 18 |
| Complexity | 637.4838 |
Chemical Identifiers
| CAS Number | 865545-88-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=C(C=CS2)C#N)C |
Product Overview
N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide (CAS 865545-88-6), with molecular formula C14H12N2OS and molecular weight 256.07 g/mol. IUPAC: N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide.
Chemical Property Profile of N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
Property Insights of N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
The XLogP value of 3.48892 indicates that N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide has 1 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 N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide?
The CAS number of N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide is 865545-88-6.
What is the molecular formula of N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide?
The molecular formula of N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide is C14H12N2OS.
What is the molecular weight of N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide?
The molecular weight of N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide is 256.07 g/mol.
Where can I buy N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide?
You can request a quote for N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.