F0539-2054
TL;DR: F0539-2054 (CAS 489471-11-6) is a chemical compound with molecular formula C28H30N4O5S3 and molecular weight 598.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-benzothiazol-2-yl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: F0539-2054, ethyl 3-(1,3-benzothiazol-2-yl)-2-[4-(diethylsulfamoyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 3-(1,3-benzothiazol-2-yl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(N,N-diethylsulfamoyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
| Molecular Formula | C28H30N4O5S3 |
|---|---|
| Molecular Weight | 598.14 g/mol |
| LogP | 5.8222 |
| Topological Polar Surface Area | 108.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 598.1378 |
| Heavy Atoms | 40 |
| Complexity | 1623.8816 |
Chemical Identifiers
| CAS Number | 489471-11-6 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC)C4=NC5=CC=CC=C5S4 |
Product Overview
F0539-2054 (CAS 489471-11-6), with molecular formula C28H30N4O5S3 and molecular weight 598.14 g/mol. IUPAC: ethyl 3-(1,3-benzothiazol-2-yl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of F0539-2054
Property Insights of F0539-2054
The XLogP value of 5.8222 indicates that F0539-2054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.91 Ų falls within the moderate polarity range, balancing permeability and solubility for F0539-2054. Following Lipinski's Rule of Five, F0539-2054 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0539-2054?
The CAS number of F0539-2054 is 489471-11-6.
What is the molecular formula of F0539-2054?
The molecular formula of F0539-2054 is C28H30N4O5S3.
What is the molecular weight of F0539-2054?
The molecular weight of F0539-2054 is 598.14 g/mol.
Where can I buy F0539-2054?
You can request a quote for F0539-2054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-2054?
Yes, KEHONG BIO provides custom synthesis services for F0539-2054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.