F0539-1806
TL;DR: F0539-1806 (CAS 449781-38-8) is a chemical compound with molecular formula C28H29N3O7S2 and molecular weight 583.14 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-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
Also Known As: F0539-1806, 6-ethyl 3-methyl 2-[4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate, 6-ethyl 3-methyl 2-(4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate, 6-O-ethyl 3-O-methyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
| Molecular Formula | C28H29N3O7S2 |
|---|---|
| Molecular Weight | 583.14 g/mol |
| LogP | 4.0486 |
| Topological Polar Surface Area | 122.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 583.1447 |
| Heavy Atoms | 40 |
| Complexity | 1564.9084 |
Chemical Identifiers
| CAS Number | 449781-38-8 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 |
Product Overview
F0539-1806 (CAS 449781-38-8), with molecular formula C28H29N3O7S2 and molecular weight 583.14 g/mol. IUPAC: 6-O-ethyl 3-O-methyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate.
Chemical Property Profile of F0539-1806
Property Insights of F0539-1806
The XLogP value of 4.0486 indicates that F0539-1806 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 F0539-1806. Following Lipinski's Rule of Five, F0539-1806 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 F0539-1806?
The CAS number of F0539-1806 is 449781-38-8.
What is the molecular formula of F0539-1806?
The molecular formula of F0539-1806 is C28H29N3O7S2.
What is the molecular weight of F0539-1806?
The molecular weight of F0539-1806 is 583.14 g/mol.
Where can I buy F0539-1806?
You can request a quote for F0539-1806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-1806?
Yes, KEHONG BIO provides custom synthesis services for F0539-1806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.