VU0605400-1
TL;DR: VU0605400-1 (CAS 514191-63-0) is a chemical compound with molecular formula C22H13FN2O3S2 and molecular weight 436.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: VU0605400-1, 1-(6-fluorobenzo[d]thiazol-2-yl)-3-hydroxy-5-phenyl-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, F3226-0177, 1-(6-fluoro-1,3-benzothiazol-2-yl)-3-hydroxy-5-phenyl-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one, 1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
| Molecular Formula | C22H13FN2O3S2 |
|---|---|
| Molecular Weight | 436.04 g/mol |
| LogP | 5.2798 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.03516 |
| Heavy Atoms | 30 |
| Complexity | 1312.9293 |
Chemical Identifiers
| CAS Number | 514191-63-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)F)O)C(=O)C5=CC=CS5 |
Product Overview
VU0605400-1 (CAS 514191-63-0), with molecular formula C22H13FN2O3S2 and molecular weight 436.04 g/mol. IUPAC: 1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of VU0605400-1
Property Insights of VU0605400-1
The XLogP value of 5.2798 indicates that VU0605400-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0605400-1. Following Lipinski's Rule of Five, VU0605400-1 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0605400-1?
The CAS number of VU0605400-1 is 514191-63-0.
What is the molecular formula of VU0605400-1?
The molecular formula of VU0605400-1 is C22H13FN2O3S2.
What is the molecular weight of VU0605400-1?
The molecular weight of VU0605400-1 is 436.04 g/mol.
Where can I buy VU0605400-1?
You can request a quote for VU0605400-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0605400-1?
Yes, KEHONG BIO provides custom synthesis services for VU0605400-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.