F0539-1833
TL;DR: F0539-1833 (CAS 449781-83-3) is a chemical compound with molecular formula C29H31N3O7S2 and molecular weight 597.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 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: F0539-1833, 3,6-diethyl 2-[4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate, diethyl 2-(4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate, diethyl 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 | C29H31N3O7S2 |
|---|---|
| Molecular Weight | 597.16 g/mol |
| LogP | 4.4387 |
| Topological Polar Surface Area | 122.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 597.16034 |
| Heavy Atoms | 41 |
| Complexity | 1582.0691 |
Chemical Identifiers
| CAS Number | 449781-83-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 |
Product Overview
F0539-1833 (CAS 449781-83-3), with molecular formula C29H31N3O7S2 and molecular weight 597.16 g/mol. IUPAC: diethyl 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 F0539-1833
Property Insights of F0539-1833
The XLogP value of 4.4387 indicates that F0539-1833 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 F0539-1833. Following Lipinski's Rule of Five, F0539-1833 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 F0539-1833?
The CAS number of F0539-1833 is 449781-83-3.
What is the molecular formula of F0539-1833?
The molecular formula of F0539-1833 is C29H31N3O7S2.
What is the molecular weight of F0539-1833?
The molecular weight of F0539-1833 is 597.16 g/mol.
Where can I buy F0539-1833?
You can request a quote for F0539-1833 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-1833?
Yes, KEHONG BIO provides custom synthesis services for F0539-1833 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.