V8PCK7UON0
TL;DR: V8PCK7UON0 (CAS 351891-58-2) is a chemical compound with molecular formula C29H20N4O10 and molecular weight 584.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-carboxy-4-[(3-nitrobenzoyl)amino]phenyl]methyl]-2-[(3-nitrobenzoyl)amino]benzoic acid
Also Known As: J1.913.143B, 3,3'-Methylenebis(6-((3-nitrobenzoyl)amino)benzoic acid), Benzoic acid, 3,3'-methylenebis(6-((3-nitrobenzoyl)amino)-, 5-[[3-carboxy-4-[(3-nitrobenzoyl)amino]phenyl]methyl]-2-[(3-nitrobenzoyl)amino]benzoic acid, 3,3 -Methylenebis[6-(3-nitrobenzoylamino)benzoic acid]
| Molecular Formula | C29H20N4O10 |
|---|---|
| Molecular Weight | 584.12 g/mol |
| LogP | 4.9948 |
| Topological Polar Surface Area | 219.08 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 584.1179 |
| Heavy Atoms | 43 |
| Complexity | 1687.9592 |
Chemical Identifiers
| CAS Number | 351891-58-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O)C(=O)O |
Product Overview
V8PCK7UON0 (CAS 351891-58-2), with molecular formula C29H20N4O10 and molecular weight 584.12 g/mol. IUPAC: 5-[[3-carboxy-4-[(3-nitrobenzoyl)amino]phenyl]methyl]-2-[(3-nitrobenzoyl)amino]benzoic acid.
Chemical Property Profile of V8PCK7UON0
Property Insights of V8PCK7UON0
The XLogP value of 4.9948 indicates that V8PCK7UON0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 219.08 Ų indicates high polarity, suggesting V8PCK7UON0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, V8PCK7UON0 has 4 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 V8PCK7UON0?
The CAS number of V8PCK7UON0 is 351891-58-2.
What is the molecular formula of V8PCK7UON0?
The molecular formula of V8PCK7UON0 is C29H20N4O10.
What is the molecular weight of V8PCK7UON0?
The molecular weight of V8PCK7UON0 is 584.12 g/mol.
Where can I buy V8PCK7UON0?
You can request a quote for V8PCK7UON0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for V8PCK7UON0?
Yes, KEHONG BIO provides custom synthesis services for V8PCK7UON0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.