F0539-1781
TL;DR: F0539-1781 (CAS 449770-39-2) is a chemical compound with molecular formula C29H30N4O4S3 and molecular weight 594.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(azepan-1-ylsulfonyl)benzamide
Also Known As: F0539-1781, N-(6-acetyl-3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(azepan-1-ylsulfonyl)benzamide, N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-4-(azepane-1-sulfonyl)benzamide, N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(azepan-1-ylsulfonyl)benzamide
| Molecular Formula | C29H30N4O4S3 |
|---|---|
| Molecular Weight | 594.14 g/mol |
| LogP | 5.7464 |
| Topological Polar Surface Area | 99.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 594.14294 |
| Heavy Atoms | 40 |
| Complexity | 1650.8438 |
Chemical Identifiers
| CAS Number | 449770-39-2 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCCCCC6 |
Product Overview
F0539-1781 (CAS 449770-39-2), with molecular formula C29H30N4O4S3 and molecular weight 594.14 g/mol. IUPAC: N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(azepan-1-ylsulfonyl)benzamide.
Chemical Property Profile of F0539-1781
Property Insights of F0539-1781
The XLogP value of 5.7464 indicates that F0539-1781 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.68 Ų falls within the moderate polarity range, balancing permeability and solubility for F0539-1781. Following Lipinski's Rule of Five, F0539-1781 has 1 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 F0539-1781?
The CAS number of F0539-1781 is 449770-39-2.
What is the molecular formula of F0539-1781?
The molecular formula of F0539-1781 is C29H30N4O4S3.
What is the molecular weight of F0539-1781?
The molecular weight of F0539-1781 is 594.14 g/mol.
Where can I buy F0539-1781?
You can request a quote for F0539-1781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-1781?
Yes, KEHONG BIO provides custom synthesis services for F0539-1781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.