N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE
TL;DR: N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE (CAS 312917-17-2) is a chemical compound with molecular formula C20H21N3O4S2 and molecular weight 431.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide
Also Known As: N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE, F0016-0416, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-(morpholinosulfonyl)benzamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide
| Molecular Formula | C20H21N3O4S2 |
|---|---|
| Molecular Weight | 431.10 g/mol |
| LogP | 2.77178 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.09735 |
| Heavy Atoms | 29 |
| Complexity | 1062.3813 |
Chemical Identifiers
| CAS Number | 312917-17-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C#N |
Product Overview
N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE (CAS 312917-17-2), with molecular formula C20H21N3O4S2 and molecular weight 431.10 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide.
Chemical Property Profile of N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE
Property Insights of N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE
The XLogP value of 2.77178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE. Following Lipinski's Rule of Five, N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE has 1 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 N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE?
The CAS number of N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE is 312917-17-2.
What is the molecular formula of N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE?
The molecular formula of N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE is C20H21N3O4S2.
What is the molecular weight of N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE?
The molecular weight of N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE is 431.10 g/mol.
Where can I buy N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE?
You can request a quote for N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE?
Yes, KEHONG BIO provides custom synthesis services for N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.