F0539-1876
TL;DR: F0539-1876 (CAS 449782-11-0) is a chemical compound with molecular formula C23H28N4O6S2 and molecular weight 520.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-carbamoyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: F0539-1876, ethyl 3-carbamoyl-2-(4-(piperidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate, ethyl 3-carbamoyl-2-[4-(piperidine-1-sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 3-carbamoyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
| Molecular Formula | C23H28N4O6S2 |
|---|---|
| Molecular Weight | 520.14 g/mol |
| LogP | 2.7885 |
| Topological Polar Surface Area | 139.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.145 |
| Heavy Atoms | 35 |
| Complexity | 1233.448 |
Chemical Identifiers
| CAS Number | 449782-11-0 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 |
Product Overview
F0539-1876 (CAS 449782-11-0), with molecular formula C23H28N4O6S2 and molecular weight 520.14 g/mol. IUPAC: ethyl 3-carbamoyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of F0539-1876
Property Insights of F0539-1876
The XLogP value of 2.7885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0539-1876. The TPSA of 139.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0539-1876. Following Lipinski's Rule of Five, F0539-1876 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 F0539-1876?
The CAS number of F0539-1876 is 449782-11-0.
What is the molecular formula of F0539-1876?
The molecular formula of F0539-1876 is C23H28N4O6S2.
What is the molecular weight of F0539-1876?
The molecular weight of F0539-1876 is 520.14 g/mol.
Where can I buy F0539-1876?
You can request a quote for F0539-1876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-1876?
Yes, KEHONG BIO provides custom synthesis services for F0539-1876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.