Phenyl n'-cyano-n-phenylimidocarbamate
TL;DR: Phenyl n'-cyano-n-phenylimidocarbamate (CAS 84859-47-2) is a chemical compound with molecular formula C14H11N3O and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-cyano-N'-phenylcarbamimidate
Also Known As: Maybridge3_007512, phenyl n'-cyano-n-phenylimidocarbamate, phenyl N-cyano-N'-phenylcarbamimidate, IDI1_018899
| Molecular Formula | C14H11N3O |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 2.82378 |
| Topological Polar Surface Area | 57.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.09021 |
| Heavy Atoms | 18 |
| Complexity | 558.5979 |
Chemical Identifiers
| CAS Number | 84859-47-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=C(NC#N)OC2=CC=CC=C2 |
Product Overview
Phenyl n'-cyano-n-phenylimidocarbamate (CAS 84859-47-2), with molecular formula C14H11N3O and molecular weight 237.09 g/mol. IUPAC: phenyl N-cyano-N'-phenylcarbamimidate.
Chemical Property Profile of Phenyl n'-cyano-n-phenylimidocarbamate
Property Insights of Phenyl n'-cyano-n-phenylimidocarbamate
The XLogP value of 2.82378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl n'-cyano-n-phenylimidocarbamate. With a topological polar surface area (TPSA) of 57.41 Ų, Phenyl n'-cyano-n-phenylimidocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl n'-cyano-n-phenylimidocarbamate has 1 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 Phenyl n'-cyano-n-phenylimidocarbamate?
The CAS number of Phenyl n'-cyano-n-phenylimidocarbamate is 84859-47-2.
What is the molecular formula of Phenyl n'-cyano-n-phenylimidocarbamate?
The molecular formula of Phenyl n'-cyano-n-phenylimidocarbamate is C14H11N3O.
What is the molecular weight of Phenyl n'-cyano-n-phenylimidocarbamate?
The molecular weight of Phenyl n'-cyano-n-phenylimidocarbamate is 237.09 g/mol.
Where can I buy Phenyl n'-cyano-n-phenylimidocarbamate?
You can request a quote for Phenyl n'-cyano-n-phenylimidocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl n'-cyano-n-phenylimidocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl n'-cyano-n-phenylimidocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.