F0539-0294
TL;DR: F0539-0294 (CAS 681176-73-8) is a chemical compound with molecular formula C31H28N4O3S3 and molecular weight 600.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
Also Known As: F0539-0294, N-(3-(benzo[d]thiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide, N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide, N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
| Molecular Formula | C31H28N4O3S3 |
|---|---|
| Molecular Weight | 600.13 g/mol |
| LogP | 6.012 |
| Topological Polar Surface Area | 82.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 600.1323 |
| Heavy Atoms | 41 |
| Complexity | 1860.5289 |
Chemical Identifiers
| CAS Number | 681176-73-8 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCC7=CC=CC=C7C6 |
Product Overview
F0539-0294 (CAS 681176-73-8), with molecular formula C31H28N4O3S3 and molecular weight 600.13 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide.
Chemical Property Profile of F0539-0294
Property Insights of F0539-0294
The XLogP value of 6.012 indicates that F0539-0294 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.61 Ų falls within the moderate polarity range, balancing permeability and solubility for F0539-0294. Following Lipinski's Rule of Five, F0539-0294 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 F0539-0294?
The CAS number of F0539-0294 is 681176-73-8.
What is the molecular formula of F0539-0294?
The molecular formula of F0539-0294 is C31H28N4O3S3.
What is the molecular weight of F0539-0294?
The molecular weight of F0539-0294 is 600.13 g/mol.
Where can I buy F0539-0294?
You can request a quote for F0539-0294 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-0294?
Yes, KEHONG BIO provides custom synthesis services for F0539-0294 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.