N-(4-Bromophenyl)-1-adamantanecarboxamide
TL;DR: N-(4-Bromophenyl)-1-adamantanecarboxamide (CAS 121768-29-4) is a chemical compound with molecular formula C17H20BrNO and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)adamantane-1-carboxamide
Also Known As: ChemDiv3_001070, N-(4-bromophenyl)adamantane-1-carboxamide, N-(4-Bromophenyl)-1-adamantanecarboxamide, BAS 00533781, IDI1_020036
| Molecular Formula | C17H20BrNO |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.0728 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 121768-29-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)Br |
| InChIKey | QBJMRSCAECWAKC-UHFFFAOYSA-N |
Product Overview
N-(4-Bromophenyl)-1-adamantanecarboxamide (CAS 121768-29-4), with molecular formula C17H20BrNO and molecular weight 333.07 g/mol. IUPAC: N-(4-bromophenyl)adamantane-1-carboxamide.
Chemical Property Profile of N-(4-Bromophenyl)-1-adamantanecarboxamide
Property Insights of N-(4-Bromophenyl)-1-adamantanecarboxamide
The XLogP value of 4.4 indicates that N-(4-Bromophenyl)-1-adamantanecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-(4-Bromophenyl)-1-adamantanecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Bromophenyl)-1-adamantanecarboxamide 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-(4-Bromophenyl)-1-adamantanecarboxamide?
The CAS number of N-(4-Bromophenyl)-1-adamantanecarboxamide is 121768-29-4.
What is the molecular formula of N-(4-Bromophenyl)-1-adamantanecarboxamide?
The molecular formula of N-(4-Bromophenyl)-1-adamantanecarboxamide is C17H20BrNO.
What is the molecular weight of N-(4-Bromophenyl)-1-adamantanecarboxamide?
The molecular weight of N-(4-Bromophenyl)-1-adamantanecarboxamide is 333.07 g/mol.
Where can I buy N-(4-Bromophenyl)-1-adamantanecarboxamide?
You can request a quote for N-(4-Bromophenyl)-1-adamantanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Bromophenyl)-1-adamantanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Bromophenyl)-1-adamantanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.