BAS 01598599
TL;DR: BAS 01598599 (CAS 313518-50-2) is a chemical compound with molecular formula C21H19NO6 and molecular weight 381.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-methylbutoxycarbonyl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: BAS 01598599, 2-[4-(3-methylbutoxycarbonyl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid, 2-(4-((isopentyloxy)carbonyl)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid, 2-{4-[(3-METHYLBUTOXY)CARBONYL]PHENYL}-1,3-DIOXOISOINDOLE-5-CARBOXYLIC ACID, 2-{4-[(3-methylbutyl)oxycarbonyl]phenyl}-1,3-dioxobenzo[c]azolidine-5-carboxyl ic acid
| Molecular Formula | C21H19NO6 |
|---|---|
| Molecular Weight | 381.12 g/mol |
| LogP | 3.3883 |
| Topological Polar Surface Area | 100.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.12125 |
| Heavy Atoms | 28 |
| Complexity | 961.36115 |
Chemical Identifiers
| CAS Number | 313518-50-2 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
Product Overview
BAS 01598599 (CAS 313518-50-2), with molecular formula C21H19NO6 and molecular weight 381.12 g/mol. IUPAC: 2-[4-(3-methylbutoxycarbonyl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of BAS 01598599
Property Insights of BAS 01598599
The XLogP value of 3.3883 indicates that BAS 01598599 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01598599. Following Lipinski's Rule of Five, BAS 01598599 has 1 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 01598599?
The CAS number of BAS 01598599 is 313518-50-2.
What is the molecular formula of BAS 01598599?
The molecular formula of BAS 01598599 is C21H19NO6.
What is the molecular weight of BAS 01598599?
The molecular weight of BAS 01598599 is 381.12 g/mol.
Where can I buy BAS 01598599?
You can request a quote for BAS 01598599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01598599?
Yes, KEHONG BIO provides custom synthesis services for BAS 01598599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.