BAS 13119348
TL;DR: BAS 13119348 (CAS 488795-69-3) is a chemical compound with molecular formula C27H22ClNO6 and molecular weight 491.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3E)-2-(4-chlorophenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: BAS 13119348, ethyl 4-(2-(4-chlorophenyl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate, ethyl 4-[(3E)-2-(4-chlorophenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate, ethyl 4-[2-(4-chlorophenyl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate, ethyl 4-{2-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoate
| Molecular Formula | C27H22ClNO6 |
|---|---|
| Molecular Weight | 491.11 g/mol |
| LogP | 5.1516 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.11356 |
| Heavy Atoms | 35 |
| Complexity | 1297.0079 |
Chemical Identifiers
| CAS Number | 488795-69-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C2=O)C4=CC=C(C=C4)Cl |
Product Overview
BAS 13119348 (CAS 488795-69-3), with molecular formula C27H22ClNO6 and molecular weight 491.11 g/mol. IUPAC: ethyl 4-[(3E)-2-(4-chlorophenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of BAS 13119348
Property Insights of BAS 13119348
The XLogP value of 5.1516 indicates that BAS 13119348 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13119348. Following Lipinski's Rule of Five, BAS 13119348 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 BAS 13119348?
The CAS number of BAS 13119348 is 488795-69-3.
What is the molecular formula of BAS 13119348?
The molecular formula of BAS 13119348 is C27H22ClNO6.
What is the molecular weight of BAS 13119348?
The molecular weight of BAS 13119348 is 491.11 g/mol.
Where can I buy BAS 13119348?
You can request a quote for BAS 13119348 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13119348?
Yes, KEHONG BIO provides custom synthesis services for BAS 13119348 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.