N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide
TL;DR: N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide (CAS 85802-07-9) is a chemical compound with molecular formula C13H17ClN2 and molecular weight 236.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide
Also Known As: N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide, (1E)-N'-tert-Butyl-2-chloro-N-phenylprop-2-enimidamide
| Molecular Formula | C13H17ClN2 |
|---|---|
| Molecular Weight | 236.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.10803 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 85802-07-9 |
|---|---|
| SMILES | CC(C)(C)N=C(C(=C)Cl)NC1=CC=CC=C1 |
| InChIKey | CCSAEVUBMANATJ-UHFFFAOYSA-N |
Product Overview
N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide (CAS 85802-07-9), with molecular formula C13H17ClN2 and molecular weight 236.11 g/mol. IUPAC: N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide.
Chemical Property Profile of N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide
Property Insights of N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide
The XLogP value of 3.6 indicates that N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.4 Ų, N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide has 1 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 N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide?
The CAS number of N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide is 85802-07-9.
What is the molecular formula of N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide?
The molecular formula of N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide is C13H17ClN2.
What is the molecular weight of N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide?
The molecular weight of N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide is 236.11 g/mol.
Where can I buy N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide?
You can request a quote for N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide?
Yes, KEHONG BIO provides custom synthesis services for N'-tert-butyl-2-chloro-N-phenylprop-2-enimidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.