F0539-1885
TL;DR: F0539-1885 (CAS 449782-25-6) is a chemical compound with molecular formula C25H31N5O8S2 and molecular weight 593.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-carbamoyl-2-[[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: F0539-1885, ethyl 4-(4-{[3-carbamoyl-6-(ethoxycarbonyl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate, ethyl 3-carbamoyl-2-(4-((4-(ethoxycarbonyl)piperazin-1-yl)sulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate, ethyl 3-carbamoyl-2-[[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate, 4-ethoxycarbonyl-1-piperazinyl(oxo)-p-(N-3-carbamoyl-6-ethoxycarbonyl-1-thia-6-aza-4,5,6,7-tetrahydro-2-indenylcarbamoyl)phenyl-lambda-sulfaniumolate
| Molecular Formula | C25H31N5O8S2 |
|---|---|
| Molecular Weight | 593.16 g/mol |
| LogP | 2.0767 |
| Topological Polar Surface Area | 168.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 593.1614 |
| Heavy Atoms | 40 |
| Complexity | 1398.9012 |
Chemical Identifiers
| CAS Number | 449782-25-6 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CN(CC4)C(=O)OCC)C(=O)N |
Product Overview
F0539-1885 (CAS 449782-25-6), with molecular formula C25H31N5O8S2 and molecular weight 593.16 g/mol. IUPAC: ethyl 3-carbamoyl-2-[[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of F0539-1885
Property Insights of F0539-1885
The XLogP value of 2.0767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0539-1885. The TPSA of 168.65 Ų indicates high polarity, suggesting F0539-1885 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0539-1885 has 2 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 F0539-1885?
The CAS number of F0539-1885 is 449782-25-6.
What is the molecular formula of F0539-1885?
The molecular formula of F0539-1885 is C25H31N5O8S2.
What is the molecular weight of F0539-1885?
The molecular weight of F0539-1885 is 593.16 g/mol.
Where can I buy F0539-1885?
You can request a quote for F0539-1885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-1885?
Yes, KEHONG BIO provides custom synthesis services for F0539-1885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.