F0539-1889
TL;DR: F0539-1889 (CAS 449782-31-4) is a chemical compound with molecular formula C24H30N4O6S2 and molecular weight 534.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: F0539-1889, ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-3-carbamoyl-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate, ethyl 2-[4-(azepane-1-sulfonyl)benzamido]-3-carbamoyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
| Molecular Formula | C24H30N4O6S2 |
|---|---|
| Molecular Weight | 534.16 g/mol |
| LogP | 3.1786 |
| Topological Polar Surface Area | 139.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 534.1607 |
| Heavy Atoms | 36 |
| Complexity | 1248.1395 |
Chemical Identifiers
| CAS Number | 449782-31-4 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 |
Product Overview
F0539-1889 (CAS 449782-31-4), with molecular formula C24H30N4O6S2 and molecular weight 534.16 g/mol. IUPAC: ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of F0539-1889
Property Insights of F0539-1889
The XLogP value of 3.1786 indicates that F0539-1889 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0539-1889. Following Lipinski's Rule of Five, F0539-1889 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0539-1889?
The CAS number of F0539-1889 is 449782-31-4.
What is the molecular formula of F0539-1889?
The molecular formula of F0539-1889 is C24H30N4O6S2.
What is the molecular weight of F0539-1889?
The molecular weight of F0539-1889 is 534.16 g/mol.
Where can I buy F0539-1889?
You can request a quote for F0539-1889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-1889?
Yes, KEHONG BIO provides custom synthesis services for F0539-1889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.