2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide
TL;DR: 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide (CAS 86990-47-8) is a chemical compound with molecular formula C13H16BrClN2 and molecular weight 314.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide
Also Known As: 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide, (1E)-2-Bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide
| Molecular Formula | C13H16BrClN2 |
|---|---|
| Molecular Weight | 314.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.01855 |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 86990-47-8 |
|---|---|
| SMILES | CC(C)(C)N=C(C(=C)Br)NC1=CC(=CC=C1)Cl |
| InChIKey | YKMSCWGBWHAKHA-UHFFFAOYSA-N |
Product Overview
2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide (CAS 86990-47-8), with molecular formula C13H16BrClN2 and molecular weight 314.02 g/mol. IUPAC: 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide.
Chemical Property Profile of 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide
Property Insights of 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide
The XLogP value of 4.3 indicates that 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-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, 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-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 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide?
The CAS number of 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide is 86990-47-8.
What is the molecular formula of 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide?
The molecular formula of 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide is C13H16BrClN2.
What is the molecular weight of 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide?
The molecular weight of 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide is 314.02 g/mol.
Where can I buy 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide?
You can request a quote for 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N'-tert-butyl-N-(3-chlorophenyl)prop-2-enimidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.