ChemDiv1_012158
TL;DR: ChemDiv1_012158 (CAS 439588-14-4) is a chemical compound with molecular formula C26H23N3O3S and molecular weight 457.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide
Also Known As: ChemDiv1_012158, A2494/0106062, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamide, [4-(3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec-8-en-4-yl)phenyl]-N-(3-cyano-6-me thyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))carboxamide, N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzamide
| Molecular Formula | C26H23N3O3S |
|---|---|
| Molecular Weight | 457.15 g/mol |
| LogP | 4.30838 |
| Topological Polar Surface Area | 90.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.14603 |
| Heavy Atoms | 33 |
| Complexity | 1238.9309 |
Chemical Identifiers
| CAS Number | 439588-14-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)N4C(=O)C5C6CC(C5C4=O)C=C6 |
Product Overview
ChemDiv1_012158 (CAS 439588-14-4), with molecular formula C26H23N3O3S and molecular weight 457.15 g/mol. IUPAC: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide.
Chemical Property Profile of ChemDiv1_012158
Property Insights of ChemDiv1_012158
The XLogP value of 4.30838 indicates that ChemDiv1_012158 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012158. Following Lipinski's Rule of Five, ChemDiv1_012158 has 1 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 ChemDiv1_012158?
The CAS number of ChemDiv1_012158 is 439588-14-4.
What is the molecular formula of ChemDiv1_012158?
The molecular formula of ChemDiv1_012158 is C26H23N3O3S.
What is the molecular weight of ChemDiv1_012158?
The molecular weight of ChemDiv1_012158 is 457.15 g/mol.
Where can I buy ChemDiv1_012158?
You can request a quote for ChemDiv1_012158 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012158?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012158 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.