BAS 13117857
TL;DR: BAS 13117857 (CAS 425608-13-5) is a chemical compound with molecular formula C18H15BrN2O5 and molecular weight 418.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-1-(5-bromo-2-pyridinyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2H-pyrrol-5-one
Also Known As: BAS 13117857, AB00104113-01, AB00104113-07, AB00104113-09, 3-acetyl-1-(5-bromopyridin-2-yl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2H-pyrrol-5-one
| Molecular Formula | C18H15BrN2O5 |
|---|---|
| Molecular Weight | 418.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.01642 |
| Heavy Atoms | 26 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 425608-13-5 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)O)OC)C3=NC=C(C=C3)Br)O |
| InChIKey | VGCYNDYUDJFFDK-UHFFFAOYSA-N |
Product Overview
BAS 13117857 (CAS 425608-13-5), with molecular formula C18H15BrN2O5 and molecular weight 418.02 g/mol. IUPAC: 3-acetyl-1-(5-bromo-2-pyridinyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2H-pyrrol-5-one.
Chemical Property Profile of BAS 13117857
Property Insights of BAS 13117857
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13117857. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13117857. Following Lipinski's Rule of Five, BAS 13117857 has 2 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 BAS 13117857?
The CAS number of BAS 13117857 is 425608-13-5.
What is the molecular formula of BAS 13117857?
The molecular formula of BAS 13117857 is C18H15BrN2O5.
What is the molecular weight of BAS 13117857?
The molecular weight of BAS 13117857 is 418.02 g/mol.
Where can I buy BAS 13117857?
You can request a quote for BAS 13117857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13117857?
Yes, KEHONG BIO provides custom synthesis services for BAS 13117857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.