F0539-0336
TL;DR: F0539-0336 (CAS 449767-55-9) is a chemical compound with molecular formula C23H29N3O5S2 and molecular weight 491.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-ethyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: F0539-0336, ethyl 6-ethyl-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, ethyl 6-ethyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate, ethyl 6-ethyl-2-[4-(pyrrolidine-1-sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C23H29N3O5S2 |
|---|---|
| Molecular Weight | 491.15 g/mol |
| LogP | 3.3396 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.15488 |
| Heavy Atoms | 33 |
| Complexity | 1135.5919 |
Chemical Identifiers
| CAS Number | 449767-55-9 |
|---|---|
| SMILES | CCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 |
Product Overview
F0539-0336 (CAS 449767-55-9), with molecular formula C23H29N3O5S2 and molecular weight 491.15 g/mol. IUPAC: ethyl 6-ethyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of F0539-0336
Property Insights of F0539-0336
The XLogP value of 3.3396 indicates that F0539-0336 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for F0539-0336. Following Lipinski's Rule of Five, F0539-0336 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0539-0336?
The CAS number of F0539-0336 is 449767-55-9.
What is the molecular formula of F0539-0336?
The molecular formula of F0539-0336 is C23H29N3O5S2.
What is the molecular weight of F0539-0336?
The molecular weight of F0539-0336 is 491.15 g/mol.
Where can I buy F0539-0336?
You can request a quote for F0539-0336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-0336?
Yes, KEHONG BIO provides custom synthesis services for F0539-0336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.