F0539-0591
TL;DR: F0539-0591 (CAS 681177-85-5) is a chemical compound with molecular formula C32H30N4O3S3 and molecular weight 614.15 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-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
Also Known As: F0539-0591, N-(3-(benzo[d]thiazol-2-yl)-6-ethyl-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-ethyl-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-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
| Molecular Formula | C32H30N4O3S3 |
|---|---|
| Molecular Weight | 614.15 g/mol |
| LogP | 6.4021 |
| Topological Polar Surface Area | 82.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 614.148 |
| Heavy Atoms | 42 |
| Complexity | 1878.0526 |
Chemical Identifiers
| CAS Number | 681177-85-5 |
|---|---|
| SMILES | CCN1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCC7=CC=CC=C7C6 |
Product Overview
F0539-0591 (CAS 681177-85-5), with molecular formula C32H30N4O3S3 and molecular weight 614.15 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide.
Chemical Property Profile of F0539-0591
Property Insights of F0539-0591
The XLogP value of 6.4021 indicates that F0539-0591 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 F0539-0591. Following Lipinski's Rule of Five, F0539-0591 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 F0539-0591?
The CAS number of F0539-0591 is 681177-85-5.
What is the molecular formula of F0539-0591?
The molecular formula of F0539-0591 is C32H30N4O3S3.
What is the molecular weight of F0539-0591?
The molecular weight of F0539-0591 is 614.15 g/mol.
Where can I buy F0539-0591?
You can request a quote for F0539-0591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-0591?
Yes, KEHONG BIO provides custom synthesis services for F0539-0591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.