F0539-1821
TL;DR: F0539-1821 (CAS 449781-64-0) is a chemical compound with molecular formula C24H29N3O7S2 and molecular weight 535.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
Also Known As: F0539-1821, 3,6-diethyl 2-[4-(pyrrolidine-1-sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate, diethyl 2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate, diethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
| Molecular Formula | C24H29N3O7S2 |
|---|---|
| Molecular Weight | 535.14 g/mol |
| LogP | 3.4762 |
| Topological Polar Surface Area | 122.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 535.1447 |
| Heavy Atoms | 36 |
| Complexity | 1249.2429 |
Chemical Identifiers
| CAS Number | 449781-64-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 |
Product Overview
F0539-1821 (CAS 449781-64-0), with molecular formula C24H29N3O7S2 and molecular weight 535.14 g/mol. IUPAC: diethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate.
Chemical Property Profile of F0539-1821
Property Insights of F0539-1821
The XLogP value of 3.4762 indicates that F0539-1821 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 F0539-1821. Following Lipinski's Rule of Five, F0539-1821 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 F0539-1821?
The CAS number of F0539-1821 is 449781-64-0.
What is the molecular formula of F0539-1821?
The molecular formula of F0539-1821 is C24H29N3O7S2.
What is the molecular weight of F0539-1821?
The molecular weight of F0539-1821 is 535.14 g/mol.
Where can I buy F0539-1821?
You can request a quote for F0539-1821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-1821?
Yes, KEHONG BIO provides custom synthesis services for F0539-1821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.