F0539-2113
TL;DR: F0539-2113 (CAS 449782-86-9) is a chemical compound with molecular formula C27H39N3O5S2 and molecular weight 549.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
Also Known As: F0539-2113, ethyl 2-(4-(N-butyl-N-ethylsulfamoyl)benzamido)-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, ethyl 2-{4-[butyl(ethyl)sulfamoyl]benzamido}-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate, ethyl 2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C27H39N3O5S2 |
|---|---|
| Molecular Weight | 549.23 g/mol |
| LogP | 5.1472 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 549.2331 |
| Heavy Atoms | 37 |
| Complexity | 1247.5743 |
Chemical Identifiers
| CAS Number | 449782-86-9 |
|---|---|
| SMILES | CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C(NC(C3)(C)C)(C)C)C(=O)OCC |
Product Overview
F0539-2113 (CAS 449782-86-9), with molecular formula C27H39N3O5S2 and molecular weight 549.23 g/mol. IUPAC: ethyl 2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of F0539-2113
Property Insights of F0539-2113
The XLogP value of 5.1472 indicates that F0539-2113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for F0539-2113. Following Lipinski's Rule of Five, F0539-2113 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 F0539-2113?
The CAS number of F0539-2113 is 449782-86-9.
What is the molecular formula of F0539-2113?
The molecular formula of F0539-2113 is C27H39N3O5S2.
What is the molecular weight of F0539-2113?
The molecular weight of F0539-2113 is 549.23 g/mol.
Where can I buy F0539-2113?
You can request a quote for F0539-2113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-2113?
Yes, KEHONG BIO provides custom synthesis services for F0539-2113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.