F0539-2101
TL;DR: F0539-2101 (CAS 489471-22-9) is a chemical compound with molecular formula C27H36N4O7S2 and molecular weight 592.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
Also Known As: F0539-2101, ethyl 4-(4-{[3-(methoxycarbonyl)-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate, methyl 2-(4-((4-(ethoxycarbonyl)piperazin-1-yl)sulfonyl)benzamido)-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, methyl 2-[[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C27H36N4O7S2 |
|---|---|
| Molecular Weight | 592.20 g/mol |
| LogP | 3.4092 |
| Topological Polar Surface Area | 134.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 592.2025 |
| Heavy Atoms | 40 |
| Complexity | 1406.9523 |
Chemical Identifiers
| CAS Number | 489471-22-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)C(NC(C4)(C)C)(C)C)C(=O)OC |
Product Overview
F0539-2101 (CAS 489471-22-9), with molecular formula C27H36N4O7S2 and molecular weight 592.20 g/mol. IUPAC: methyl 2-[[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of F0539-2101
Property Insights of F0539-2101
The XLogP value of 3.4092 indicates that F0539-2101 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.35 Ų falls within the moderate polarity range, balancing permeability and solubility for F0539-2101. Following Lipinski's Rule of Five, F0539-2101 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 F0539-2101?
The CAS number of F0539-2101 is 489471-22-9.
What is the molecular formula of F0539-2101?
The molecular formula of F0539-2101 is C27H36N4O7S2.
What is the molecular weight of F0539-2101?
The molecular weight of F0539-2101 is 592.20 g/mol.
Where can I buy F0539-2101?
You can request a quote for F0539-2101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-2101?
Yes, KEHONG BIO provides custom synthesis services for F0539-2101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.