AE-848/40938375
TL;DR: AE-848/40938375 (CAS 461033-28-3) is a chemical compound with molecular formula C20H23N3OS3 and molecular weight 417.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]thiophene-2-carboxamide
Also Known As: AE-848/40938375, N-((3-cyano-6-(tert-pentyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)thiophene-2-carboxamide, N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-(2-thienylcarbonyl)thiourea, N-[[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]thiophene-2-carboxamide, N-[3-CYANO-6-(TERT-PENTYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]-N'-(2-THIENYLCARBONYL)THIOUREA
| Molecular Formula | C20H23N3OS3 |
|---|---|
| Molecular Weight | 417.10 g/mol |
| LogP | 5.34918 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.1003 |
| Heavy Atoms | 27 |
| Complexity | 890.45886 |
Chemical Identifiers
| CAS Number | 461033-28-3 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CS3 |
Product Overview
AE-848/40938375 (CAS 461033-28-3), with molecular formula C20H23N3OS3 and molecular weight 417.10 g/mol. IUPAC: N-[[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of AE-848/40938375
Property Insights of AE-848/40938375
The XLogP value of 5.34918 indicates that AE-848/40938375 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/40938375. Following Lipinski's Rule of Five, AE-848/40938375 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/40938375?
The CAS number of AE-848/40938375 is 461033-28-3.
What is the molecular formula of AE-848/40938375?
The molecular formula of AE-848/40938375 is C20H23N3OS3.
What is the molecular weight of AE-848/40938375?
The molecular weight of AE-848/40938375 is 417.10 g/mol.
Where can I buy AE-848/40938375?
You can request a quote for AE-848/40938375 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/40938375?
Yes, KEHONG BIO provides custom synthesis services for AE-848/40938375 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.