F0539-2096
TL;DR: F0539-2096 (CAS 449782-61-0) is a chemical compound with molecular formula C27H37N3O5S2 and molecular weight 547.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
Also Known As: F0539-2096, methyl 2-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate, methyl 2-(4-((3,5-dimethylpiperidin-1-yl)sulfonyl)benzamido)-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, methyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C27H37N3O5S2 |
|---|---|
| Molecular Weight | 547.22 g/mol |
| LogP | 4.613 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 547.21747 |
| Heavy Atoms | 37 |
| Complexity | 1302.2516 |
Chemical Identifiers
| CAS Number | 449782-61-0 |
|---|---|
| SMILES | CC1CC(CN(C1)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)C |
Product Overview
F0539-2096 (CAS 449782-61-0), with molecular formula C27H37N3O5S2 and molecular weight 547.22 g/mol. IUPAC: methyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of F0539-2096
Property Insights of F0539-2096
The XLogP value of 4.613 indicates that F0539-2096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for F0539-2096. Following Lipinski's Rule of Five, F0539-2096 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 F0539-2096?
The CAS number of F0539-2096 is 449782-61-0.
What is the molecular formula of F0539-2096?
The molecular formula of F0539-2096 is C27H37N3O5S2.
What is the molecular weight of F0539-2096?
The molecular weight of F0539-2096 is 547.22 g/mol.
Where can I buy F0539-2096?
You can request a quote for F0539-2096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-2096?
Yes, KEHONG BIO provides custom synthesis services for F0539-2096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.