苯基氰胺
TL;DR: 苯基氰胺 (CAS 622-34-4) is a chemical compound with molecular formula C7H6N2 and molecular weight 118.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯基氰胺
phenylcyanamide
Also Known As: Phenylcyanamide, N-PHENYLCYANAMIDE, phenyl-cyanamide, Phenylcyanamid, cyano-aniline
| Molecular Formula | C7H6N2 |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.0531 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 622-34-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC#N |
| InChIKey | JLXXLCJERIYMQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯基氰胺 (CAS 622-34-4), with molecular formula C7H6N2 and molecular weight 118.05 g/mol. IUPAC: phenylcyanamide.
Chemical Property Profile of 苯基氰胺
Property Insights of 苯基氰胺
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯基氰胺. With a topological polar surface area (TPSA) of 35.8 Ų, 苯基氰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯基氰胺 has 1 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 苯基氰胺?
The CAS number of 苯基氰胺 is 622-34-4.
What is the molecular formula of 苯基氰胺?
The molecular formula of 苯基氰胺 is C7H6N2.
What is the molecular weight of 苯基氰胺?
The molecular weight of 苯基氰胺 is 118.05 g/mol.
Where can I buy 苯基氰胺?
You can request a quote for 苯基氰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯基氰胺?
Yes, KEHONG BIO provides custom synthesis services for 苯基氰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.