苯甲脒
TL;DR: 苯甲脒 (CAS 618-39-3) is a chemical compound with molecular formula C7H8N2 and molecular weight 120.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲脒
benzenecarboximidamide
Also Known As: benzamidine, Benzimidamide, Benzenecarboximidamide, Phenylamidine, null
| Molecular Formula | C7H8N2 |
|---|---|
| Molecular Weight | 120.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.06875 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
| Solubility | >18 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 618-39-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=N)N |
| InChIKey | PXXJHWLDUBFPOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲脒 (CAS 618-39-3), with molecular formula C7H8N2 and molecular weight 120.07 g/mol. IUPAC: benzenecarboximidamide.
Chemical Property Profile of 苯甲脒
Property Insights of 苯甲脒
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲脒. With a topological polar surface area (TPSA) of 49.9 Ų, 苯甲脒 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲脒 has 2 hydrogen bond donor(s) and 1 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 苯甲脒?
The CAS number of 苯甲脒 is 618-39-3.
What is the molecular formula of 苯甲脒?
The molecular formula of 苯甲脒 is C7H8N2.
What is the molecular weight of 苯甲脒?
The molecular weight of 苯甲脒 is 120.07 g/mol.
Where can I buy 苯甲脒?
You can request a quote for 苯甲脒 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲脒?
Yes, KEHONG BIO provides custom synthesis services for 苯甲脒 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.