2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate
TL;DR: 2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate (CAS 1048345-31-8) is a chemical compound with molecular formula C20H29BrN2O5 and molecular weight 456.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(azepan-1-yl)piperidin-1-yl]methyl]-4-bromophenol;oxalic acid
Also Known As: 2-((4-(azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate, 2-[[4-(azepan-1-yl)piperidin-1-yl]methyl]-4-bromophenol; oxalic acid, IUPAC: 2-[[4-(azepan-1-yl)-1-piperidyl]methyl]-4-bromo-phenol; Oxalic Acid
| Molecular Formula | C20H29BrN2O5 |
|---|---|
| Molecular Weight | 456.13 g/mol |
| LogP | 3.1507 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.12598 |
| Heavy Atoms | 28 |
| Complexity | 641.99615 |
Chemical Identifiers
| CAS Number | 1048345-31-8 |
|---|---|
| SMILES | C1CCCN(CC1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O |
Product Overview
2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate (CAS 1048345-31-8), with molecular formula C20H29BrN2O5 and molecular weight 456.13 g/mol. IUPAC: 2-[[4-(azepan-1-yl)piperidin-1-yl]methyl]-4-bromophenol;oxalic acid.
Chemical Property Profile of 2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate
Property Insights of 2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate
The XLogP value of 3.1507 indicates that 2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate. Following Lipinski's Rule of Five, 2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate has 3 hydrogen bond donor(s) and 5 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-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate?
The CAS number of 2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate is 1048345-31-8.
What is the molecular formula of 2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate?
The molecular formula of 2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate is C20H29BrN2O5.
What is the molecular weight of 2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate?
The molecular weight of 2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate is 456.13 g/mol.
Where can I buy 2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate?
You can request a quote for 2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(Azepan-1-yl)piperidin-1-yl)methyl)-4-bromophenol oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.