BAS 00436487
TL;DR: BAS 00436487 (CAS 6383-71-7) is a chemical compound with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)-5-(4-methylanilino)-5-oxopentanoic acid
Also Known As: BAS 00436487, 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-4-p-tolylcarbamoyl-butyric acid, 1,3-Dihydro-alpha-[3-[(4-methylphenyl)amino]-3-oxopropyl]-1,3-dioxo-2H-isoindole-2-acetic acid, 2-(1,3-dioxoisoindol-2-yl)-5-(4-methylanilino)-5-oxopentanoic acid, 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-5-(4-methylanilino)-5-oxopentanoic acid
| Molecular Formula | C20H18N2O5 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.12158 |
| Heavy Atoms | 27 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 6383-71-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CCC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | DZODCSYWZAUFLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BAS 00436487 (CAS 6383-71-7), with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-5-(4-methylanilino)-5-oxopentanoic acid.
Chemical Property Profile of BAS 00436487
Property Insights of BAS 00436487
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00436487. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00436487. Following Lipinski's Rule of Five, BAS 00436487 has 2 hydrogen bond donor(s) and 5 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 00436487?
The CAS number of BAS 00436487 is 6383-71-7.
What is the molecular formula of BAS 00436487?
The molecular formula of BAS 00436487 is C20H18N2O5.
What is the molecular weight of BAS 00436487?
The molecular weight of BAS 00436487 is 366.12 g/mol.
Where can I buy BAS 00436487?
You can request a quote for BAS 00436487 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00436487?
Yes, KEHONG BIO provides custom synthesis services for BAS 00436487 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.