N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide
TL;DR: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide (CAS 379239-63-1) is a chemical compound with molecular formula C23H24N4O2S2 and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide
Also Known As: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide, AF-399/40769034, F1174-3118, N~1~,N~3~-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)malonamide, N1,N3-bis(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)malonamide
| Molecular Formula | C23H24N4O2S2 |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 4.76986 |
| Topological Polar Surface Area | 105.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.13406 |
| Heavy Atoms | 31 |
| Complexity | 1043.8534 |
Chemical Identifiers
| CAS Number | 379239-63-1 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CC(=O)NC3=C(C4=C(S3)CC(CC4)C)C#N |
Product Overview
N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide (CAS 379239-63-1), with molecular formula C23H24N4O2S2 and molecular weight 452.13 g/mol. IUPAC: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide.
Chemical Property Profile of N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide
Property Insights of N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide
The XLogP value of 4.76986 indicates that N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide. Following Lipinski's Rule of Five, N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide 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,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide?
The CAS number of N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide is 379239-63-1.
What is the molecular formula of N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide?
The molecular formula of N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide is C23H24N4O2S2.
What is the molecular weight of N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide?
The molecular weight of N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide is 452.13 g/mol.
Where can I buy N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide?
You can request a quote for N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide 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(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide?
Yes, KEHONG BIO provides custom synthesis services for N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.