F1009-0542
TL;DR: F1009-0542 (CAS 681233-96-5) is a chemical compound with molecular formula C23H26N4O6S2 and molecular weight 518.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
Also Known As: F1009-0542, ethyl 4-(4-{[(2E)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate, (E)-ethyl 4-((4-((6-methoxy-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate, ethyl 4-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
| Molecular Formula | C23H26N4O6S2 |
|---|---|
| Molecular Weight | 518.13 g/mol |
| LogP | 2.4523 |
| Topological Polar Surface Area | 110.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 518.1294 |
| Heavy Atoms | 35 |
| Complexity | 1418.4578 |
Chemical Identifiers
| CAS Number | 681233-96-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)OC)C |
Product Overview
F1009-0542 (CAS 681233-96-5), with molecular formula C23H26N4O6S2 and molecular weight 518.13 g/mol. IUPAC: ethyl 4-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of F1009-0542
Property Insights of F1009-0542
The XLogP value of 2.4523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1009-0542. The TPSA of 110.51 Ų falls within the moderate polarity range, balancing permeability and solubility for F1009-0542. Following Lipinski's Rule of Five, F1009-0542 has 0 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 F1009-0542?
The CAS number of F1009-0542 is 681233-96-5.
What is the molecular formula of F1009-0542?
The molecular formula of F1009-0542 is C23H26N4O6S2.
What is the molecular weight of F1009-0542?
The molecular weight of F1009-0542 is 518.13 g/mol.
Where can I buy F1009-0542?
You can request a quote for F1009-0542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1009-0542?
Yes, KEHONG BIO provides custom synthesis services for F1009-0542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.