F0539-0049
TL;DR: F0539-0049 (CAS 449767-00-4) is a chemical compound with molecular formula C25H32N4O7S2 and molecular weight 564.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: F0539-0049, ethyl 4-(4-{[3-(ethoxycarbonyl)-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate, ethyl 2-(4-((4-(ethoxycarbonyl)piperazin-1-yl)sulfonyl)benzamido)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, ethyl 2-[[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C25H32N4O7S2 |
|---|---|
| Molecular Weight | 564.17 g/mol |
| LogP | 2.6278 |
| Topological Polar Surface Area | 125.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 564.17126 |
| Heavy Atoms | 38 |
| Complexity | 1299.7091 |
Chemical Identifiers
| CAS Number | 449767-00-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC |
Product Overview
F0539-0049 (CAS 449767-00-4), with molecular formula C25H32N4O7S2 and molecular weight 564.17 g/mol. IUPAC: ethyl 2-[[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of F0539-0049
Property Insights of F0539-0049
The XLogP value of 2.6278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0539-0049. The TPSA of 125.56 Ų falls within the moderate polarity range, balancing permeability and solubility for F0539-0049. Following Lipinski's Rule of Five, F0539-0049 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0539-0049?
The CAS number of F0539-0049 is 449767-00-4.
What is the molecular formula of F0539-0049?
The molecular formula of F0539-0049 is C25H32N4O7S2.
What is the molecular weight of F0539-0049?
The molecular weight of F0539-0049 is 564.17 g/mol.
Where can I buy F0539-0049?
You can request a quote for F0539-0049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-0049?
Yes, KEHONG BIO provides custom synthesis services for F0539-0049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.