BAS 03787813
TL;DR: BAS 03787813 (CAS 459793-95-4) is a chemical compound with molecular formula C26H23N3O6S and molecular weight 505.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[(4E)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: BAS 03787813, allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, prop-2-en-1-yl 2-[(3E)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, prop-2-en-1-yl 2-{3-hydroxy-4-[(4-methoxy-3-methylphenyl)carbonyl]-2-oxo-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate, prop-2-enyl 2-[(4E)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C26H23N3O6S |
|---|---|
| Molecular Weight | 505.13 g/mol |
| LogP | 4.13264 |
| Topological Polar Surface Area | 118.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.13077 |
| Heavy Atoms | 36 |
| Complexity | 1395.9159 |
Chemical Identifiers
| CAS Number | 459793-95-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC=C)C)C4=CN=CC=C4)/O)OC |
Product Overview
BAS 03787813 (CAS 459793-95-4), with molecular formula C26H23N3O6S and molecular weight 505.13 g/mol. IUPAC: prop-2-enyl 2-[(4E)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of BAS 03787813
Property Insights of BAS 03787813
The XLogP value of 4.13264 indicates that BAS 03787813 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03787813. Following Lipinski's Rule of Five, BAS 03787813 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 03787813?
The CAS number of BAS 03787813 is 459793-95-4.
What is the molecular formula of BAS 03787813?
The molecular formula of BAS 03787813 is C26H23N3O6S.
What is the molecular weight of BAS 03787813?
The molecular weight of BAS 03787813 is 505.13 g/mol.
Where can I buy BAS 03787813?
You can request a quote for BAS 03787813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03787813?
Yes, KEHONG BIO provides custom synthesis services for BAS 03787813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.