A0380/0017472
TL;DR: A0380/0017472 (CAS 339059-85-7) is a chemical compound with molecular formula C29H16N2O10 and molecular weight 552.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenoxy]phthalic acid
Also Known As: A0380/0017472, 4-(4-{5-[(3-nitrophenyl)carbonyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}phenoxy)benzene-1,2-dicarboxylic acid, 4-[4-[1,3-Dihydro-5-(3-nitrobenzoyl)-1,3-dioxo-2H-isoindol-2-yl]phenoxy]-1,2-benzenedicarboxylic acid, 4-[4-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenoxy]phthalic acid, 4-(4-(1,3-Dihydro-5-(3-nitrobenzoyl)-1,3-dioxo-2H-isoindol-2-yl)phenoxy)-1,2-benzenedicarboxylic acid
| Molecular Formula | C29H16N2O10 |
|---|---|
| Molecular Weight | 552.08 g/mol |
| LogP | 4.8151 |
| Topological Polar Surface Area | 181.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 552.0805 |
| Heavy Atoms | 41 |
| Complexity | 1811.0245 |
Chemical Identifiers
| CAS Number | 339059-85-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC(=C(C=C5)C(=O)O)C(=O)O |
Product Overview
A0380/0017472 (CAS 339059-85-7), with molecular formula C29H16N2O10 and molecular weight 552.08 g/mol. IUPAC: 4-[4-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]phenoxy]phthalic acid.
Chemical Property Profile of A0380/0017472
Property Insights of A0380/0017472
The XLogP value of 4.8151 indicates that A0380/0017472 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.42 Ų indicates high polarity, suggesting A0380/0017472 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A0380/0017472 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0380/0017472?
The CAS number of A0380/0017472 is 339059-85-7.
What is the molecular formula of A0380/0017472?
The molecular formula of A0380/0017472 is C29H16N2O10.
What is the molecular weight of A0380/0017472?
The molecular weight of A0380/0017472 is 552.08 g/mol.
Where can I buy A0380/0017472?
You can request a quote for A0380/0017472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0380/0017472?
Yes, KEHONG BIO provides custom synthesis services for A0380/0017472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.