AE-848/41539245
TL;DR: AE-848/41539245 (CAS 445434-98-0) is a chemical compound with molecular formula C23H20N4OS3 and molecular weight 464.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]carbamothioyl]butanamide
Also Known As: AE-848/41539245, N-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]carbamothioyl]butanamide, N-butyryl-N'-{2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}thiourea
| Molecular Formula | C23H20N4OS3 |
|---|---|
| Molecular Weight | 464.08 g/mol |
| LogP | 6.1226 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.07993 |
| Heavy Atoms | 31 |
| Complexity | 1223.9689 |
Chemical Identifiers
| CAS Number | 445434-98-0 |
|---|---|
| SMILES | CCCC(=O)NC(=S)NC1=CC=CC=C1SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4 |
Product Overview
AE-848/41539245 (CAS 445434-98-0), with molecular formula C23H20N4OS3 and molecular weight 464.08 g/mol. IUPAC: N-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]carbamothioyl]butanamide.
Chemical Property Profile of AE-848/41539245
Property Insights of AE-848/41539245
The XLogP value of 6.1226 indicates that AE-848/41539245 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/41539245. Following Lipinski's Rule of Five, AE-848/41539245 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/41539245?
The CAS number of AE-848/41539245 is 445434-98-0.
What is the molecular formula of AE-848/41539245?
The molecular formula of AE-848/41539245 is C23H20N4OS3.
What is the molecular weight of AE-848/41539245?
The molecular weight of AE-848/41539245 is 464.08 g/mol.
Where can I buy AE-848/41539245?
You can request a quote for AE-848/41539245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/41539245?
Yes, KEHONG BIO provides custom synthesis services for AE-848/41539245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.