RefChem:1068957
TL;DR: RefChem:1068957 (CAS 5583-04-0) is a chemical compound with molecular formula C13H16BrClN2O and molecular weight 330.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,8aR)-1-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine;hydrobromide
Also Known As: 3H-Oxazolo(3,4-a)pyridine, hexahydro-1-(p-chlorophenyl)-3-imino-, hydrobromide (E)-, trans-1-(p-Chlorophenyl)-3-iminohexahydro-3H-oxazolo(3,4-a)pyridine hydrobromide, (1R,8aR)-1-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide, RefChem:1068957
| Molecular Formula | C13H16BrClN2O |
|---|---|
| Molecular Weight | 330.01 g/mol |
| LogP | 3.77847 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.01346 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 5583-04-0 |
|---|---|
| SMILES | C1CCN2[C@H](C1)[C@H](OC2=N)C3=CC=C(C=C3)Cl.Br |
| InChIKey | TZURCHHSIYTMPT-MNMPKAIFSA-N |
Product Overview
RefChem:1068957 (CAS 5583-04-0), with molecular formula C13H16BrClN2O and molecular weight 330.01 g/mol. IUPAC: (1R,8aR)-1-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine;hydrobromide.
Chemical Property Profile of RefChem:1068957
Property Insights of RefChem:1068957
The XLogP value of 3.77847 indicates that RefChem:1068957 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, RefChem:1068957 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1068957 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 RefChem:1068957?
The CAS number of RefChem:1068957 is 5583-04-0.
What is the molecular formula of RefChem:1068957?
The molecular formula of RefChem:1068957 is C13H16BrClN2O.
What is the molecular weight of RefChem:1068957?
The molecular weight of RefChem:1068957 is 330.01 g/mol.
Where can I buy RefChem:1068957?
You can request a quote for RefChem:1068957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068957?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.