F0539-2118
TL;DR: F0539-2118 (CAS 449783-01-1) is a chemical compound with molecular formula C25H33N3O5S2 and molecular weight 519.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,5,7,7-tetramethyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
Also Known As: F0539-2118, ethyl 5,5,7,7-tetramethyl-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, ethyl 5,5,7,7-tetramethyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C25H33N3O5S2 |
|---|---|
| Molecular Weight | 519.19 g/mol |
| LogP | 4.121 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.18616 |
| Heavy Atoms | 35 |
| Complexity | 1240.635 |
Chemical Identifiers
| CAS Number | 449783-01-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 |
Product Overview
F0539-2118 (CAS 449783-01-1), with molecular formula C25H33N3O5S2 and molecular weight 519.19 g/mol. IUPAC: ethyl 5,5,7,7-tetramethyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of F0539-2118
Property Insights of F0539-2118
The XLogP value of 4.121 indicates that F0539-2118 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 F0539-2118. Following Lipinski's Rule of Five, F0539-2118 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 F0539-2118?
The CAS number of F0539-2118 is 449783-01-1.
What is the molecular formula of F0539-2118?
The molecular formula of F0539-2118 is C25H33N3O5S2.
What is the molecular weight of F0539-2118?
The molecular weight of F0539-2118 is 519.19 g/mol.
Where can I buy F0539-2118?
You can request a quote for F0539-2118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-2118?
Yes, KEHONG BIO provides custom synthesis services for F0539-2118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.