![N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide structure](/static/products/6814/681438-91-5.webp)
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
TL;DR: N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide (CAS 681438-91-5) is a chemical compound with molecular formula C23H28N4O3S2 and molecular weight 472.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide, N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide, N-{3-cyano-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-4-(pyrrolidine-1-sulfonyl)benzamide
| Molecular Formula | C23H28N4O3S2 |
|---|---|
| Molecular Weight | 472.16 g/mol |
| LogP | 3.81598 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.16028 |
| Heavy Atoms | 32 |
| Complexity | 1199.1016 |
Chemical Identifiers
| CAS Number | 681438-91-5 |
|---|---|
| SMILES | CC1(CC2=C(C(N1)(C)C)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C |
Product Overview
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide (CAS 681438-91-5), with molecular formula C23H28N4O3S2 and molecular weight 472.16 g/mol. IUPAC: N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
Property Insights of N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
The XLogP value of 3.81598 indicates that N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide. Following Lipinski's Rule of Five, N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide has 2 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-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide?
The CAS number of N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide is 681438-91-5.
What is the molecular formula of N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide?
The molecular formula of N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide is C23H28N4O3S2.
What is the molecular weight of N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide?
The molecular weight of N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide is 472.16 g/mol.
Where can I buy N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide?
You can request a quote for N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)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-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.