BIM-0029415.P001
TL;DR: BIM-0029415.P001 (CAS 420102-17-6) is a chemical compound with molecular formula C22H14N2O7 and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoic acid
Also Known As: BIM-0029415.P001, 4-methyl-3-(5-(3-nitrophenoxy)-1,3-dioxoisoindolin-2-yl)benzoic acid, 4-methyl-3-[5-(3-nitrophenoxy)-1,3-dioxobenzo[c]azolin-2-yl]benzoic acid, 4-methyl-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoic acid, 4-methyl-3-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
| Molecular Formula | C22H14N2O7 |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 4.19432 |
| Topological Polar Surface Area | 127.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.0801 |
| Heavy Atoms | 31 |
| Complexity | 1282.6011 |
Chemical Identifiers
| CAS Number | 420102-17-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-] |
Product Overview
BIM-0029415.P001 (CAS 420102-17-6), with molecular formula C22H14N2O7 and molecular weight 418.08 g/mol. IUPAC: 4-methyl-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoic acid.
Chemical Property Profile of BIM-0029415.P001
Property Insights of BIM-0029415.P001
The XLogP value of 4.19432 indicates that BIM-0029415.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0029415.P001. Following Lipinski's Rule of Five, BIM-0029415.P001 has 1 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 BIM-0029415.P001?
The CAS number of BIM-0029415.P001 is 420102-17-6.
What is the molecular formula of BIM-0029415.P001?
The molecular formula of BIM-0029415.P001 is C22H14N2O7.
What is the molecular weight of BIM-0029415.P001?
The molecular weight of BIM-0029415.P001 is 418.08 g/mol.
Where can I buy BIM-0029415.P001?
You can request a quote for BIM-0029415.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0029415.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0029415.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.