RefChem:1098964
TL;DR: RefChem:1098964 (CAS 74033-45-7) is a chemical compound with molecular formula C25H30ClNO4 and molecular weight 443.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[1,4-oxazinan-4-ium-4,8'-8-azoniabicyclo[3.2.1]octane]-3'-yl 2-hydroxy-2,2-diphenylacetate chloride
Also Known As: 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-morpholinium) chloride benzilate, Spiro(8-azoniabicyclo(3.2.1)octane-8,1'-morpholinium), 3-hydroxy-, chloride, benzilate, spiro[1,4-oxazinan-4-ium-4,8'-8-azoniabicyclo[3.2.1]octane]-3'-yl 2-hydroxy-2,2-diphenylacetate chloride, Spiro[8-azoniabicyclo[3.2.1]octane-8,4'-morpholinium], 3-[(hydroxydiphenylacetyl)oxy]-, chloride, RefChem:1098964
| Molecular Formula | C25H30ClNO4 |
|---|---|
| Molecular Weight | 443.19 g/mol |
| LogP | 0.0101 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.18634 |
| Heavy Atoms | 31 |
| Complexity | 829.4097 |
Chemical Identifiers
| CAS Number | 74033-45-7 |
|---|---|
| SMILES | C1CC2CC(CC1[N+]23CCOCC3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-] |
Product Overview
RefChem:1098964 (CAS 74033-45-7), with molecular formula C25H30ClNO4 and molecular weight 443.19 g/mol. IUPAC: spiro[1,4-oxazinan-4-ium-4,8'-8-azoniabicyclo[3.2.1]octane]-3'-yl 2-hydroxy-2,2-diphenylacetate chloride.
Chemical Property Profile of RefChem:1098964
Property Insights of RefChem:1098964
The XLogP value of 0.0101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098964. With a topological polar surface area (TPSA) of 55.76 Ų, RefChem:1098964 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1098964 has 1 hydrogen bond donor(s) and 4 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:1098964?
The CAS number of RefChem:1098964 is 74033-45-7.
What is the molecular formula of RefChem:1098964?
The molecular formula of RefChem:1098964 is C25H30ClNO4.
What is the molecular weight of RefChem:1098964?
The molecular weight of RefChem:1098964 is 443.19 g/mol.
Where can I buy RefChem:1098964?
You can request a quote for RefChem:1098964 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098964?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098964 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.