F0846-0598
TL;DR: F0846-0598 (CAS 477500-01-9) is a chemical compound with molecular formula C23H21N3O3S2 and molecular weight 451.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: F0846-0598, N-[(2E)-1-methyl-1H,2H-naphtho[1,2-d][1,3]thiazol-2-ylidene]-4-(pyrrolidine-1-sulfonyl)benzamide, (E)-N-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-4-(pyrrolidin-1-ylsulfonyl)benzamide, N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide
| Molecular Formula | C23H21N3O3S2 |
|---|---|
| Molecular Weight | 451.10 g/mol |
| LogP | 3.9186 |
| Topological Polar Surface Area | 71.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.10245 |
| Heavy Atoms | 31 |
| Complexity | 1476.3228 |
Chemical Identifiers
| CAS Number | 477500-01-9 |
|---|---|
| SMILES | CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5 |
Product Overview
F0846-0598 (CAS 477500-01-9), with molecular formula C23H21N3O3S2 and molecular weight 451.10 g/mol. IUPAC: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of F0846-0598
Property Insights of F0846-0598
The XLogP value of 3.9186 indicates that F0846-0598 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.74 Ų falls within the moderate polarity range, balancing permeability and solubility for F0846-0598. Following Lipinski's Rule of Five, F0846-0598 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0846-0598?
The CAS number of F0846-0598 is 477500-01-9.
What is the molecular formula of F0846-0598?
The molecular formula of F0846-0598 is C23H21N3O3S2.
What is the molecular weight of F0846-0598?
The molecular weight of F0846-0598 is 451.10 g/mol.
Where can I buy F0846-0598?
You can request a quote for F0846-0598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0846-0598?
Yes, KEHONG BIO provides custom synthesis services for F0846-0598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.