BAS 00406459
TL;DR: BAS 00406459 (CAS 358731-26-7) is a chemical compound with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: BAS 00406459, 2-(4-METHYL-3-NITROPHENYL)-3A,4,7,7A-TETRAHYDRO-1H-4,7-EPOXYISOINDOLE-1,3(2H)-DIONE, 3a,4,7,7a-Tetrahydro-2-(4-methyl-3-nitrophenyl)-4,7-epoxy-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C15H12N2O5 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 1.34602 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.07462 |
| Heavy Atoms | 22 |
| Complexity | 726.29974 |
Chemical Identifiers
| CAS Number | 358731-26-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)O4)[N+](=O)[O-] |
Product Overview
BAS 00406459 (CAS 358731-26-7), with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol. IUPAC: 2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of BAS 00406459
Property Insights of BAS 00406459
The XLogP value of 1.34602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00406459. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00406459. Following Lipinski's Rule of Five, BAS 00406459 has 0 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 00406459?
The CAS number of BAS 00406459 is 358731-26-7.
What is the molecular formula of BAS 00406459?
The molecular formula of BAS 00406459 is C15H12N2O5.
What is the molecular weight of BAS 00406459?
The molecular weight of BAS 00406459 is 300.07 g/mol.
Where can I buy BAS 00406459?
You can request a quote for BAS 00406459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00406459?
Yes, KEHONG BIO provides custom synthesis services for BAS 00406459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.