F0539-1868
TL;DR: F0539-1868 (CAS 449781-97-9) is a chemical compound with molecular formula C26H36N4O6S2 and molecular weight 564.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-carbamoyl-2-[[4-(dibutylsulfamoyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: F0539-1868, ethyl 3-carbamoyl-2-[4-(dibutylsulfamoyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 3-carbamoyl-2-(4-(N,N-dibutylsulfamoyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate, ethyl 3-carbamoyl-2-[[4-(dibutylsulfamoyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
| Molecular Formula | C26H36N4O6S2 |
|---|---|
| Molecular Weight | 564.21 g/mol |
| LogP | 4.2048 |
| Topological Polar Surface Area | 139.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 564.20764 |
| Heavy Atoms | 38 |
| Complexity | 1249.2711 |
Chemical Identifiers
| CAS Number | 449781-97-9 |
|---|---|
| SMILES | CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC)C(=O)N |
Product Overview
F0539-1868 (CAS 449781-97-9), with molecular formula C26H36N4O6S2 and molecular weight 564.21 g/mol. IUPAC: ethyl 3-carbamoyl-2-[[4-(dibutylsulfamoyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of F0539-1868
Property Insights of F0539-1868
The XLogP value of 4.2048 indicates that F0539-1868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0539-1868. Following Lipinski's Rule of Five, F0539-1868 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0539-1868?
The CAS number of F0539-1868 is 449781-97-9.
What is the molecular formula of F0539-1868?
The molecular formula of F0539-1868 is C26H36N4O6S2.
What is the molecular weight of F0539-1868?
The molecular weight of F0539-1868 is 564.21 g/mol.
Where can I buy F0539-1868?
You can request a quote for F0539-1868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-1868?
Yes, KEHONG BIO provides custom synthesis services for F0539-1868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.