BAS 00219556
TL;DR: BAS 00219556 (CAS 306763-56-4) is a chemical compound with molecular formula C22H21NO6 and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,3-dioxo-2-(4-pentoxycarbonylphenyl)isoindole-5-carboxylate
Also Known As: BAS 00219556, F0345-3387, methyl 1,3-dioxo-2-{4-[(pentyloxy)carbonyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxylate, methyl 1,3-dioxo-2-(4-((pentyloxy)carbonyl)phenyl)isoindoline-5-carboxylate, methyl 1,3-dioxo-2-(4-pentoxycarbonylphenyl)isoindole-5-carboxylate
| Molecular Formula | C22H21NO6 |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 3.6208 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.1369 |
| Heavy Atoms | 29 |
| Complexity | 963.7678 |
Chemical Identifiers
| CAS Number | 306763-56-4 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC |
Product Overview
BAS 00219556 (CAS 306763-56-4), with molecular formula C22H21NO6 and molecular weight 395.14 g/mol. IUPAC: methyl 1,3-dioxo-2-(4-pentoxycarbonylphenyl)isoindole-5-carboxylate.
Chemical Property Profile of BAS 00219556
Property Insights of BAS 00219556
The XLogP value of 3.6208 indicates that BAS 00219556 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00219556. Following Lipinski's Rule of Five, BAS 00219556 has 0 hydrogen bond donor(s) and 6 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 00219556?
The CAS number of BAS 00219556 is 306763-56-4.
What is the molecular formula of BAS 00219556?
The molecular formula of BAS 00219556 is C22H21NO6.
What is the molecular weight of BAS 00219556?
The molecular weight of BAS 00219556 is 395.14 g/mol.
Where can I buy BAS 00219556?
You can request a quote for BAS 00219556 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00219556?
Yes, KEHONG BIO provides custom synthesis services for BAS 00219556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.