BAS 00458678
TL;DR: BAS 00458678 (CAS 331676-30-3) is a chemical compound with molecular formula C29H15N5O9 and molecular weight 577.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[4-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl]benzamide
Also Known As: BAS 00458678, 4-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-(4-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}phenyl)benzamide, 4-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[4-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl]benzamide
| Molecular Formula | C29H15N5O9 |
|---|---|
| Molecular Weight | 577.09 g/mol |
| LogP | 4.3565 |
| Topological Polar Surface Area | 190.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 577.087 |
| Heavy Atoms | 43 |
| Complexity | 1952.3477 |
Chemical Identifiers
| CAS Number | 331676-30-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-] |
Product Overview
BAS 00458678 (CAS 331676-30-3), with molecular formula C29H15N5O9 and molecular weight 577.09 g/mol. IUPAC: 4-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[4-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl]benzamide.
Chemical Property Profile of BAS 00458678
Property Insights of BAS 00458678
The XLogP value of 4.3565 indicates that BAS 00458678 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.14 Ų indicates high polarity, suggesting BAS 00458678 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00458678 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00458678?
The CAS number of BAS 00458678 is 331676-30-3.
What is the molecular formula of BAS 00458678?
The molecular formula of BAS 00458678 is C29H15N5O9.
What is the molecular weight of BAS 00458678?
The molecular weight of BAS 00458678 is 577.09 g/mol.
Where can I buy BAS 00458678?
You can request a quote for BAS 00458678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458678?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.