SpOx1_000653
TL;DR: SpOx1_000653 (CAS 5224-40-8) is a chemical compound with molecular formula C50H51N3O10 and molecular weight 853.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[3-[8'-(azocane-1-carbonyl)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-5-yl]prop-2-ynyl]propanedioate
Also Known As: SpOx1_000653, dimethyl 2-[3-[8'-(azocane-1-carbonyl)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-5-yl]prop-2-ynyl]propanedioate, Dimethyl (3-{8'-(azocane-1-carbonyl)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenyl-1,2,3',4',8',8'a-hexahydro-1'H,6'H-spiro[indole-3,7'-pyrrolo[2,1-c][1,4]oxazin]-5-yl}prop-2-yn-1-yl)propanedioate
| Molecular Formula | C50H51N3O10 |
|---|---|
| Molecular Weight | 853.36 g/mol |
| LogP | 5.8252 |
| Topological Polar Surface Area | 161.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 853.3574 |
| Heavy Atoms | 63 |
| Complexity | 2390.7307 |
Chemical Identifiers
| CAS Number | 5224-40-8 |
|---|---|
| SMILES | COC(=O)C(CC#CC1=CC2=C(C=C1)NC(=O)C23C(C4C(=O)OC(C(N4C3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCCCCCC8)C(=O)OC |
Product Overview
SpOx1_000653 (CAS 5224-40-8), with molecular formula C50H51N3O10 and molecular weight 853.36 g/mol. IUPAC: dimethyl 2-[3-[8'-(azocane-1-carbonyl)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-5-yl]prop-2-ynyl]propanedioate.
Chemical Property Profile of SpOx1_000653
Property Insights of SpOx1_000653
The XLogP value of 5.8252 indicates that SpOx1_000653 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.01 Ų indicates high polarity, suggesting SpOx1_000653 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SpOx1_000653 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SpOx1_000653?
The CAS number of SpOx1_000653 is 5224-40-8.
What is the molecular formula of SpOx1_000653?
The molecular formula of SpOx1_000653 is C50H51N3O10.
What is the molecular weight of SpOx1_000653?
The molecular weight of SpOx1_000653 is 853.36 g/mol.
Where can I buy SpOx1_000653?
You can request a quote for SpOx1_000653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SpOx1_000653?
Yes, KEHONG BIO provides custom synthesis services for SpOx1_000653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.