N-脒基苄基邻苯二甲酰亚胺
TL;DR: N-脒基苄基邻苯二甲酰亚胺 (CAS 6951-54-8) is a chemical compound with molecular formula C16H14ClN3O2 and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-脒基苄基邻苯二甲酰亚胺
4-[(1,3-dioxoisoindol-2-yl)methyl]benzenecarboximidamide;hydrochloride
Also Known As: N-Amidinobenzylphthalimide, 4-((1,3-Dioxoisoindolin-2-yl)methyl)benzimidamide hydrochloride, 4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]benzenecarboximidamide hydrochloride(1:1), 4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzene-1-carboximidamide hydrochloride, 4-[(1,3-dioxoisoindol-2-yl)methyl]benzenecarboximidamide hydrochloride
| Molecular Formula | C16H14ClN3O2 |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 2.18867 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.07745 |
| Heavy Atoms | 22 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 6951-54-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)C(=N)N.Cl |
| InChIKey | ADZXQXRQZKBIEN-UHFFFAOYSA-N |
Product Overview
N-脒基苄基邻苯二甲酰亚胺 (CAS 6951-54-8), with molecular formula C16H14ClN3O2 and molecular weight 315.08 g/mol. IUPAC: 4-[(1,3-dioxoisoindol-2-yl)methyl]benzenecarboximidamide;hydrochloride.
Chemical Property Profile of N-脒基苄基邻苯二甲酰亚胺
Property Insights of N-脒基苄基邻苯二甲酰亚胺
The XLogP value of 2.18867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-脒基苄基邻苯二甲酰亚胺. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-脒基苄基邻苯二甲酰亚胺. Following Lipinski's Rule of Five, N-脒基苄基邻苯二甲酰亚胺 has 3 hydrogen bond donor(s) and 3 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 N-脒基苄基邻苯二甲酰亚胺?
The CAS number of N-脒基苄基邻苯二甲酰亚胺 is 6951-54-8.
What is the molecular formula of N-脒基苄基邻苯二甲酰亚胺?
The molecular formula of N-脒基苄基邻苯二甲酰亚胺 is C16H14ClN3O2.
What is the molecular weight of N-脒基苄基邻苯二甲酰亚胺?
The molecular weight of N-脒基苄基邻苯二甲酰亚胺 is 315.08 g/mol.
Where can I buy N-脒基苄基邻苯二甲酰亚胺?
You can request a quote for N-脒基苄基邻苯二甲酰亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-脒基苄基邻苯二甲酰亚胺?
Yes, KEHONG BIO provides custom synthesis services for N-脒基苄基邻苯二甲酰亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.