N-Didemethylbromadoline
TL;DR: N-Didemethylbromadoline (CAS 14933-92-7) is a chemical compound with molecular formula C13H17BrN2O and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1R,2R)-2-aminocyclohexyl]-4-bromobenzamide
Also Known As: N-Didemethylbromadoline, n-[(1r,2r)-2-aminocyclohexyl]-4-bromobenzamide, N-(2-aminocyclohexyl)-4-bromobenzamide, Benzamide, N-(2-aminocyclohexyl)-4-bromo-, trans-,, 4-Bromo-N-[(1beta,2alpha)-2-aminocyclohexyl]benzamide
| Molecular Formula | C13H17BrN2O |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.05243 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 14933-92-7 |
|---|---|
| SMILES | C1CC[C@H]([C@@H](C1)N)NC(=O)C2=CC=C(C=C2)Br |
| InChIKey | FDTVTLRRTCOLPL-VXGBXAGGSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Didemethylbromadoline (CAS 14933-92-7), with molecular formula C13H17BrN2O and molecular weight 296.05 g/mol. IUPAC: N-[(1R,2R)-2-aminocyclohexyl]-4-bromobenzamide.
Chemical Property Profile of N-Didemethylbromadoline
Property Insights of N-Didemethylbromadoline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Didemethylbromadoline. With a topological polar surface area (TPSA) of 55.1 Ų, N-Didemethylbromadoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Didemethylbromadoline has 2 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 N-Didemethylbromadoline?
The CAS number of N-Didemethylbromadoline is 14933-92-7.
What is the molecular formula of N-Didemethylbromadoline?
The molecular formula of N-Didemethylbromadoline is C13H17BrN2O.
What is the molecular weight of N-Didemethylbromadoline?
The molecular weight of N-Didemethylbromadoline is 296.05 g/mol.
Where can I buy N-Didemethylbromadoline?
You can request a quote for N-Didemethylbromadoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Didemethylbromadoline?
Yes, KEHONG BIO provides custom synthesis services for N-Didemethylbromadoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.