BIM-0039868.P001
TL;DR: BIM-0039868.P001 (CAS 5986-95-8) is a chemical compound with molecular formula C17H10BrN3O3S and molecular weight 414.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one
Also Known As: BIM-0039868.P001, AF-399/37285043, 5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one, 5-bromo-3-{2-[(4-hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one, (5E)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-2-(4-hydroxyanilino)-1,3-thiazol-4-one
| Molecular Formula | C17H10BrN3O3S |
|---|---|
| Molecular Weight | 414.96 g/mol |
| LogP | 2.4192 |
| Topological Polar Surface Area | 94.81 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.96262 |
| Heavy Atoms | 25 |
| Complexity | 1123.0302 |
Chemical Identifiers
| CAS Number | 5986-95-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NC(=C(S2)C3=C4C=C(C=CC4=NC3=O)Br)O)O |
Product Overview
BIM-0039868.P001 (CAS 5986-95-8), with molecular formula C17H10BrN3O3S and molecular weight 414.96 g/mol. IUPAC: 5-bromo-3-[4-hydroxy-2-(4-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one.
Chemical Property Profile of BIM-0039868.P001
Property Insights of BIM-0039868.P001
The XLogP value of 2.4192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0039868.P001. The TPSA of 94.81 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039868.P001. Following Lipinski's Rule of Five, BIM-0039868.P001 has 3 hydrogen bond donor(s) and 6 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 BIM-0039868.P001?
The CAS number of BIM-0039868.P001 is 5986-95-8.
What is the molecular formula of BIM-0039868.P001?
The molecular formula of BIM-0039868.P001 is C17H10BrN3O3S.
What is the molecular weight of BIM-0039868.P001?
The molecular weight of BIM-0039868.P001 is 414.96 g/mol.
Where can I buy BIM-0039868.P001?
You can request a quote for BIM-0039868.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039868.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039868.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.