![1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate structure](/static/products/566/5668-86-0.png)
1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate
TL;DR: 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate (CAS 5668-86-0) is a chemical compound with molecular formula C18H15N3O and molecular weight 289.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1H-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate
Also Known As: 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate, 1-(1,3-dihydrobenzimidazol-2-ylideneazaniumylmethyl)naphthalen-2-olate, 1-(1,3-dihydrobenzoimidazol-2-ylideneazaniumylmethyl)naphthalen-2-olate
| Molecular Formula | C18H15N3O |
|---|---|
| Molecular Weight | 289.12 g/mol |
| LogP | 2.8209 |
| Topological Polar Surface Area | 65.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.12152 |
| Heavy Atoms | 22 |
| Complexity | 925.78735 |
Chemical Identifiers
| CAS Number | 5668-86-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2CNC3=[NH+]C4=CC=CC=C4N3)[O-] |
Product Overview
1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate (CAS 5668-86-0), with molecular formula C18H15N3O and molecular weight 289.12 g/mol. IUPAC: 1-[(1H-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate.
Chemical Property Profile of 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate
Property Insights of 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate
The XLogP value of 2.8209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate. The TPSA of 65.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate. Following Lipinski's Rule of Five, 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate has 2 hydrogen bond donor(s) and 2 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 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate?
The CAS number of 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate is 5668-86-0.
What is the molecular formula of 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate?
The molecular formula of 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate is C18H15N3O.
What is the molecular weight of 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate?
The molecular weight of 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate is 289.12 g/mol.
Where can I buy 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate?
You can request a quote for 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate?
Yes, KEHONG BIO provides custom synthesis services for 1-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]naphthalen-2-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.