F0539-1835
TL;DR: F0539-1835 (CAS 449781-87-7) is a chemical compound with molecular formula C26H33N3O7S2 and molecular weight 563.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
Also Known As: F0539-1835, 3,6-diethyl 2-[4-(azepane-1-sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate, diethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate, diethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
| Molecular Formula | C26H33N3O7S2 |
|---|---|
| Molecular Weight | 563.18 g/mol |
| LogP | 4.2564 |
| Topological Polar Surface Area | 122.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 563.17596 |
| Heavy Atoms | 38 |
| Complexity | 1280.6553 |
Chemical Identifiers
| CAS Number | 449781-87-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 |
Product Overview
F0539-1835 (CAS 449781-87-7), with molecular formula C26H33N3O7S2 and molecular weight 563.18 g/mol. IUPAC: diethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate.
Chemical Property Profile of F0539-1835
Property Insights of F0539-1835
The XLogP value of 4.2564 indicates that F0539-1835 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 F0539-1835. Following Lipinski's Rule of Five, F0539-1835 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 F0539-1835?
The CAS number of F0539-1835 is 449781-87-7.
What is the molecular formula of F0539-1835?
The molecular formula of F0539-1835 is C26H33N3O7S2.
What is the molecular weight of F0539-1835?
The molecular weight of F0539-1835 is 563.18 g/mol.
Where can I buy F0539-1835?
You can request a quote for F0539-1835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-1835?
Yes, KEHONG BIO provides custom synthesis services for F0539-1835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.