AE-848/41150974
TL;DR: AE-848/41150974 (CAS 489441-05-6) is a chemical compound with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-(benzylcarbamoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
Also Known As: AE-848/41150974, 3-amino-2-(benzylcarbamoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid, 3-amino-2-[(benzylamino)carbonyl]-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid, 9-amino-8-(benzylcarbamoyl)-4-oxo-7-thia-5-azabicyclo[4.3.0]nona-2,8,10-triene-3-carboxylic Acid
| Molecular Formula | C16H13N3O4S |
|---|---|
| Molecular Weight | 343.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 125.28 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.06268 |
| Heavy Atoms | 24 |
| Complexity | 991.72034 |
Chemical Identifiers
| CAS Number | 489441-05-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)O)N |
Product Overview
AE-848/41150974 (CAS 489441-05-6), with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol. IUPAC: 3-amino-2-(benzylcarbamoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid.
Chemical Property Profile of AE-848/41150974
Property Insights of AE-848/41150974
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/41150974. The TPSA of 125.28 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/41150974. Following Lipinski's Rule of Five, AE-848/41150974 has 4 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 AE-848/41150974?
The CAS number of AE-848/41150974 is 489441-05-6.
What is the molecular formula of AE-848/41150974?
The molecular formula of AE-848/41150974 is C16H13N3O4S.
What is the molecular weight of AE-848/41150974?
The molecular weight of AE-848/41150974 is 343.06 g/mol.
Where can I buy AE-848/41150974?
You can request a quote for AE-848/41150974 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/41150974?
Yes, KEHONG BIO provides custom synthesis services for AE-848/41150974 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.