BAS 13119920
TL;DR: BAS 13119920 (CAS 370583-27-0) is a chemical compound with molecular formula C29H25NO5 and molecular weight 467.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]benzoic acid
Also Known As: BAS 13119920, (E)-3-(3-cinnamoyl-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid, 3-[4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]benzoic acid, 3-{3-hydroxy-2-oxo-4-[(2E)-3-phenylprop-2-enoyl]-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid
| Molecular Formula | C29H25NO5 |
|---|---|
| Molecular Weight | 467.17 g/mol |
| LogP | 5.6907 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.17328 |
| Heavy Atoms | 35 |
| Complexity | 1336.9998 |
Chemical Identifiers
| CAS Number | 370583-27-0 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC(=C3)C(=O)O)O)C(=O)/C=C/C4=CC=CC=C4 |
Product Overview
BAS 13119920 (CAS 370583-27-0), with molecular formula C29H25NO5 and molecular weight 467.17 g/mol. IUPAC: 3-[4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]benzoic acid.
Chemical Property Profile of BAS 13119920
Property Insights of BAS 13119920
The XLogP value of 5.6907 indicates that BAS 13119920 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 13119920. Following Lipinski's Rule of Five, BAS 13119920 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 13119920?
The CAS number of BAS 13119920 is 370583-27-0.
What is the molecular formula of BAS 13119920?
The molecular formula of BAS 13119920 is C29H25NO5.
What is the molecular weight of BAS 13119920?
The molecular weight of BAS 13119920 is 467.17 g/mol.
Where can I buy BAS 13119920?
You can request a quote for BAS 13119920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13119920?
Yes, KEHONG BIO provides custom synthesis services for BAS 13119920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.