AE-848/15116611
TL;DR: AE-848/15116611 (CAS 369398-58-3) is a chemical compound with molecular formula C25H22ClN5OS and molecular weight 475.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-diamino-N-(3-chloro-4-methylphenyl)-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carboxamide
Also Known As: AE-848/15116611, 3,6-diamino-N-(3-chloro-4-methylphenyl)-5-cyano-4-(4-isopropylphenyl)thieno[2,3-b]pyridine-2-carboxamide, 3,6-diamino-N-(3-chloro-4-methylphenyl)-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carboxamide, 3,6-diamino-N-(3-chloro-4-methylphenyl)-5-cyano-4-[4-(propan-2-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
| Molecular Formula | C25H22ClN5OS |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 6.3369 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.12335 |
| Heavy Atoms | 33 |
| Complexity | 1434.4425 |
Chemical Identifiers
| CAS Number | 369398-58-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C(=C3C4=CC=C(C=C4)C(C)C)C#N)N)N)Cl |
Product Overview
AE-848/15116611 (CAS 369398-58-3), with molecular formula C25H22ClN5OS and molecular weight 475.12 g/mol. IUPAC: 3,6-diamino-N-(3-chloro-4-methylphenyl)-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carboxamide.
Chemical Property Profile of AE-848/15116611
Property Insights of AE-848/15116611
The XLogP value of 6.3369 indicates that AE-848/15116611 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/15116611. Following Lipinski's Rule of Five, AE-848/15116611 has 3 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-848/15116611?
The CAS number of AE-848/15116611 is 369398-58-3.
What is the molecular formula of AE-848/15116611?
The molecular formula of AE-848/15116611 is C25H22ClN5OS.
What is the molecular weight of AE-848/15116611?
The molecular weight of AE-848/15116611 is 475.12 g/mol.
Where can I buy AE-848/15116611?
You can request a quote for AE-848/15116611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/15116611?
Yes, KEHONG BIO provides custom synthesis services for AE-848/15116611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.