4-溴苯甲酰基-甲基金刚烷胺
TL;DR: 4-溴苯甲酰基-甲基金刚烷胺 (CAS 84269-98-7) is a chemical compound with molecular formula C18H22BrNO and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-溴苯甲酰基-甲基金刚烷胺
2-(1-adamantylamino)-1-(4-bromophenyl)ethanone
Also Known As: BBMAA, 4-Bromobenzoyl-methyladamantylamine, 1-N-(4-bromobenoyl)methyladamantylamine, 1-N-(para-Bromobenzoyl)methyladamantylamine, 2-(1-adamantylamino)-1-(4-bromophenyl)ethanone
| Molecular Formula | C18H22BrNO |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.08847 |
| Heavy Atoms | 21 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 84269-98-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NCC(=O)C4=CC=C(C=C4)Br |
| InChIKey | LRELHWKXXPNAKX-UHFFFAOYSA-N |
Product Overview
4-溴苯甲酰基-甲基金刚烷胺 (CAS 84269-98-7), with molecular formula C18H22BrNO and molecular weight 347.09 g/mol. IUPAC: 2-(1-adamantylamino)-1-(4-bromophenyl)ethanone.
Chemical Property Profile of 4-溴苯甲酰基-甲基金刚烷胺
Property Insights of 4-溴苯甲酰基-甲基金刚烷胺
The XLogP value of 4.6 indicates that 4-溴苯甲酰基-甲基金刚烷胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 4-溴苯甲酰基-甲基金刚烷胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-溴苯甲酰基-甲基金刚烷胺 has 1 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 4-溴苯甲酰基-甲基金刚烷胺?
The CAS number of 4-溴苯甲酰基-甲基金刚烷胺 is 84269-98-7.
What is the molecular formula of 4-溴苯甲酰基-甲基金刚烷胺?
The molecular formula of 4-溴苯甲酰基-甲基金刚烷胺 is C18H22BrNO.
What is the molecular weight of 4-溴苯甲酰基-甲基金刚烷胺?
The molecular weight of 4-溴苯甲酰基-甲基金刚烷胺 is 347.09 g/mol.
Where can I buy 4-溴苯甲酰基-甲基金刚烷胺?
You can request a quote for 4-溴苯甲酰基-甲基金刚烷胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-溴苯甲酰基-甲基金刚烷胺?
Yes, KEHONG BIO provides custom synthesis services for 4-溴苯甲酰基-甲基金刚烷胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.