F0539-0994
TL;DR: F0539-0994 (CAS 449768-73-4) is a chemical compound with molecular formula C25H33N5O6S2 and molecular weight 563.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(3-carbamoyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
Also Known As: F0539-0994, ethyl 4-((4-((3-carbamoyl-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate, ethyl 4-(4-{[3-carbamoyl-6-(propan-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate, ethyl 4-[4-[(3-carbamoyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
| Molecular Formula | C25H33N5O6S2 |
|---|---|
| Molecular Weight | 563.19 g/mol |
| LogP | 2.3286 |
| Topological Polar Surface Area | 142.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 563.18726 |
| Heavy Atoms | 38 |
| Complexity | 1314.4537 |
Chemical Identifiers
| CAS Number | 449768-73-4 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CN(CC4)C(C)C)C(=O)N |
Product Overview
F0539-0994 (CAS 449768-73-4), with molecular formula C25H33N5O6S2 and molecular weight 563.19 g/mol. IUPAC: ethyl 4-[4-[(3-carbamoyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of F0539-0994
Property Insights of F0539-0994
The XLogP value of 2.3286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0539-0994. The TPSA of 142.35 Ų indicates high polarity, suggesting F0539-0994 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0539-0994 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0539-0994?
The CAS number of F0539-0994 is 449768-73-4.
What is the molecular formula of F0539-0994?
The molecular formula of F0539-0994 is C25H33N5O6S2.
What is the molecular weight of F0539-0994?
The molecular weight of F0539-0994 is 563.19 g/mol.
Where can I buy F0539-0994?
You can request a quote for F0539-0994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-0994?
Yes, KEHONG BIO provides custom synthesis services for F0539-0994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.