BAS 13119918
TL;DR: BAS 13119918 (CAS 487035-82-5) is a chemical compound with molecular formula C26H19NO5 and molecular weight 425.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-hydroxy-5-oxo-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid
Also Known As: BAS 13119918, (E)-3-(3-cinnamoyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid, 3-[4-hydroxy-5-oxo-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid, 3-{3-hydroxy-2-oxo-5-phenyl-4-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid
| Molecular Formula | C26H19NO5 |
|---|---|
| Molecular Weight | 425.13 g/mol |
| LogP | 4.5673 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.1263 |
| Heavy Atoms | 32 |
| Complexity | 1245.4785 |
Chemical Identifiers
| CAS Number | 487035-82-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)N(C2C3=CC=CC=C3)C4=CC=CC(=C4)C(=O)O)O |
Product Overview
BAS 13119918 (CAS 487035-82-5), with molecular formula C26H19NO5 and molecular weight 425.13 g/mol. IUPAC: 3-[4-hydroxy-5-oxo-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid.
Chemical Property Profile of BAS 13119918
Property Insights of BAS 13119918
The XLogP value of 4.5673 indicates that BAS 13119918 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13119918. Following Lipinski's Rule of Five, BAS 13119918 has 2 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 BAS 13119918?
The CAS number of BAS 13119918 is 487035-82-5.
What is the molecular formula of BAS 13119918?
The molecular formula of BAS 13119918 is C26H19NO5.
What is the molecular weight of BAS 13119918?
The molecular weight of BAS 13119918 is 425.13 g/mol.
Where can I buy BAS 13119918?
You can request a quote for BAS 13119918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13119918?
Yes, KEHONG BIO provides custom synthesis services for BAS 13119918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.