3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid
TL;DR: 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid (CAS 802835-01-4) is a chemical compound with molecular formula C27H26N8O4 and molecular weight 526.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzoic acid
Also Known As: NCI-B16, 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid, 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzoic acid, 3,5-Bis(3-(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)ureido)benzoic acid, Benzene,[1-(difluoromethylene)-2,2,3,3,3-pentafluoropropyl]
| Molecular Formula | C27H26N8O4 |
|---|---|
| Molecular Weight | 526.21 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 526.2077 |
| Heavy Atoms | 39 |
| Complexity | 887.0 |
Chemical Identifiers
| CAS Number | 802835-01-4 |
|---|---|
| SMILES | C1CN=C(N1)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)NC4=CC=C(C=C4)C5=NCCN5 |
| InChIKey | PQQQHHNCTCOPJD-UHFFFAOYSA-N |
Product Overview
3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid (CAS 802835-01-4), with molecular formula C27H26N8O4 and molecular weight 526.21 g/mol. IUPAC: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzoic acid.
Chemical Property Profile of 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid
Property Insights of 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid. The TPSA of 168.0 Ų indicates high polarity, suggesting 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid has 7 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid?
The CAS number of 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid is 802835-01-4.
What is the molecular formula of 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid?
The molecular formula of 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid is C27H26N8O4.
What is the molecular weight of 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid?
The molecular weight of 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid is 526.21 g/mol.
Where can I buy 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid?
You can request a quote for 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.