F0539-1788
TL;DR: F0539-1788 (CAS 449770-52-9) is a chemical compound with molecular formula C24H31N3O7S2 and molecular weight 537.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-O-ethyl 3-O-methyl 2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
Also Known As: F0539-1788, 6-ethyl 3-methyl 2-{4-[butyl(methyl)sulfamoyl]benzamido}-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate, 6-ethyl 3-methyl 2-(4-(N-butyl-N-methylsulfamoyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate, 6-O-ethyl 3-O-methyl 2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
| Molecular Formula | C24H31N3O7S2 |
|---|---|
| Molecular Weight | 537.16 g/mol |
| LogP | 3.7222 |
| Topological Polar Surface Area | 122.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 537.16034 |
| Heavy Atoms | 36 |
| Complexity | 1223.08 |
Chemical Identifiers
| CAS Number | 449770-52-9 |
|---|---|
| SMILES | CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC)C(=O)OC |
Product Overview
F0539-1788 (CAS 449770-52-9), with molecular formula C24H31N3O7S2 and molecular weight 537.16 g/mol. IUPAC: 6-O-ethyl 3-O-methyl 2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate.
Chemical Property Profile of F0539-1788
Property Insights of F0539-1788
The XLogP value of 3.7222 indicates that F0539-1788 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.32 Ų falls within the moderate polarity range, balancing permeability and solubility for F0539-1788. Following Lipinski's Rule of Five, F0539-1788 has 1 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 F0539-1788?
The CAS number of F0539-1788 is 449770-52-9.
What is the molecular formula of F0539-1788?
The molecular formula of F0539-1788 is C24H31N3O7S2.
What is the molecular weight of F0539-1788?
The molecular weight of F0539-1788 is 537.16 g/mol.
Where can I buy F0539-1788?
You can request a quote for F0539-1788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-1788?
Yes, KEHONG BIO provides custom synthesis services for F0539-1788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.