BAS 00315721
TL;DR: BAS 00315721 (CAS 6336-28-3) is a chemical compound with molecular formula C21H21NO4 and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 2-(3-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
Also Known As: BAS 00315721, 3-methylbutyl 2-(3-methylphenyl)-1,3-dioxoisoindole-5-carboxylate, 3-methylbutyl 2-(3-methylphenyl)-1,3-dioxobenzo[c]azoline-5-carboxylate, 1,3-Dioxo-2-m-tolyl-2,3-dihydro-1H-isoindole-5-carboxylic acid, 3-methylbutyl ester
| Molecular Formula | C21H21NO4 |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 3.99852 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.14706 |
| Heavy Atoms | 26 |
| Complexity | 885.32983 |
Chemical Identifiers
| CAS Number | 6336-28-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCC(C)C |
Product Overview
BAS 00315721 (CAS 6336-28-3), with molecular formula C21H21NO4 and molecular weight 351.15 g/mol. IUPAC: 3-methylbutyl 2-(3-methylphenyl)-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of BAS 00315721
Property Insights of BAS 00315721
The XLogP value of 3.99852 indicates that BAS 00315721 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00315721. Following Lipinski's Rule of Five, BAS 00315721 has 0 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 00315721?
The CAS number of BAS 00315721 is 6336-28-3.
What is the molecular formula of BAS 00315721?
The molecular formula of BAS 00315721 is C21H21NO4.
What is the molecular weight of BAS 00315721?
The molecular weight of BAS 00315721 is 351.15 g/mol.
Where can I buy BAS 00315721?
You can request a quote for BAS 00315721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00315721?
Yes, KEHONG BIO provides custom synthesis services for BAS 00315721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.