RefChem:1068960
TL;DR: RefChem:1068960 (CAS 5583-17-5) is a chemical compound with molecular formula C14H19BrN2O2 and molecular weight 326.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,8aR)-1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine;hydrobromide
Also Known As: trans-3-Imino-1-(p-methoxyphenyl)hexahydro-3H-oxazolo(3,4-a)pyridine hydrobromide, 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-methoxyphenyl)-, hydrobromide (E)-, 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-methoxyphenyl)-, hydrobromide (Z)-, Rel-(1R,8aR)-1-(4-methoxyphenyl)hexahydro-3H-oxazolo[3,4-a]pyridin-3-imine hydrobromide, (1R,8aR)-1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
| Molecular Formula | C14H19BrN2O2 |
|---|---|
| Molecular Weight | 326.06 g/mol |
| LogP | 3.13367 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.063 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 5583-17-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[C@@H]2[C@H]3CCCCN3C(=N)O2.Br |
| InChIKey | ZEYMPTIXTCDNDY-OJERSXHUSA-N |
Product Overview
RefChem:1068960 (CAS 5583-17-5), with molecular formula C14H19BrN2O2 and molecular weight 326.06 g/mol. IUPAC: (1R,8aR)-1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine;hydrobromide.
Chemical Property Profile of RefChem:1068960
Property Insights of RefChem:1068960
The XLogP value of 3.13367 indicates that RefChem:1068960 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, RefChem:1068960 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1068960 has 2 hydrogen bond donor(s) and 3 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:1068960?
The CAS number of RefChem:1068960 is 5583-17-5.
What is the molecular formula of RefChem:1068960?
The molecular formula of RefChem:1068960 is C14H19BrN2O2.
What is the molecular weight of RefChem:1068960?
The molecular weight of RefChem:1068960 is 326.06 g/mol.
Where can I buy RefChem:1068960?
You can request a quote for RefChem:1068960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068960?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.