3-bromo-N-phenylbenzenecarboximidoyl cyanide
TL;DR: 3-bromo-N-phenylbenzenecarboximidoyl cyanide (CAS 69873-72-9) is a chemical compound with molecular formula C14H9BrN2 and molecular weight 283.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-phenylbenzenecarboximidoyl cyanide
Also Known As: 3-bromo-N-phenylbenzenecarboximidoyl cyanide, 3-Bromo-alpha-(phenylimino)benzeneacetonitrile, (2Z)-(3-Bromophenyl)(phenylimino)acetonitrile, 3-bromo-N-phenylbenzene-1-carbonimidoyl cyanide
| Molecular Formula | C14H9BrN2 |
|---|---|
| Molecular Weight | 283.99 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 36.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.9949 |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 69873-72-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=C(C#N)C2=CC(=CC=C2)Br |
| InChIKey | UJDDDQBHPMRMAV-UHFFFAOYSA-N |
Product Overview
3-bromo-N-phenylbenzenecarboximidoyl cyanide (CAS 69873-72-9), with molecular formula C14H9BrN2 and molecular weight 283.99 g/mol. IUPAC: 3-bromo-N-phenylbenzenecarboximidoyl cyanide.
Chemical Property Profile of 3-bromo-N-phenylbenzenecarboximidoyl cyanide
Property Insights of 3-bromo-N-phenylbenzenecarboximidoyl cyanide
The XLogP value of 4.1 indicates that 3-bromo-N-phenylbenzenecarboximidoyl cyanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.2 Ų, 3-bromo-N-phenylbenzenecarboximidoyl cyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-phenylbenzenecarboximidoyl cyanide has 0 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 3-bromo-N-phenylbenzenecarboximidoyl cyanide?
The CAS number of 3-bromo-N-phenylbenzenecarboximidoyl cyanide is 69873-72-9.
What is the molecular formula of 3-bromo-N-phenylbenzenecarboximidoyl cyanide?
The molecular formula of 3-bromo-N-phenylbenzenecarboximidoyl cyanide is C14H9BrN2.
What is the molecular weight of 3-bromo-N-phenylbenzenecarboximidoyl cyanide?
The molecular weight of 3-bromo-N-phenylbenzenecarboximidoyl cyanide is 283.99 g/mol.
Where can I buy 3-bromo-N-phenylbenzenecarboximidoyl cyanide?
You can request a quote for 3-bromo-N-phenylbenzenecarboximidoyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-phenylbenzenecarboximidoyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-phenylbenzenecarboximidoyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.