F0539-2111
TL;DR: F0539-2111 (CAS 449782-78-9) is a chemical compound with molecular formula C29H43N3O5S2 and molecular weight 577.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
Also Known As: F0539-2111, ethyl 2-(4-(N,N-dibutylsulfamoyl)benzamido)-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, ethyl 2-[4-(dibutylsulfamoyl)benzamido]-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate, ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C29H43N3O5S2 |
|---|---|
| Molecular Weight | 577.26 g/mol |
| LogP | 5.9274 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 577.2644 |
| Heavy Atoms | 39 |
| Complexity | 1272.7366 |
Chemical Identifiers
| CAS Number | 449782-78-9 |
|---|---|
| SMILES | CCCCN(CCCC)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
F0539-2111 (CAS 449782-78-9), with molecular formula C29H43N3O5S2 and molecular weight 577.26 g/mol. IUPAC: ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of F0539-2111
Property Insights of F0539-2111
The XLogP value of 5.9274 indicates that F0539-2111 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 F0539-2111. Following Lipinski's Rule of Five, F0539-2111 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 F0539-2111?
The CAS number of F0539-2111 is 449782-78-9.
What is the molecular formula of F0539-2111?
The molecular formula of F0539-2111 is C29H43N3O5S2.
What is the molecular weight of F0539-2111?
The molecular weight of F0539-2111 is 577.26 g/mol.
Where can I buy F0539-2111?
You can request a quote for F0539-2111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-2111?
Yes, KEHONG BIO provides custom synthesis services for F0539-2111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.