SpOx1_002351
TL;DR: SpOx1_002351 (CAS 5225-20-7) is a chemical compound with molecular formula C58H57N5O10S and molecular weight 1015.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[8-(1,3-benzothiazol-2-ylcarbamoyl)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carbonyl]amino]-3-methylbutanoate
Also Known As: SpOx1_002351, methyl 2-[[8-(1,3-benzothiazol-2-ylcarbamoyl)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carbonyl]amino]-3-methylbutanoate, Methyl N-{8'-[(1,3-benzothiazol-2-yl)carbamoyl]-5-[(1-hydroxycycloheptyl)ethynyl]-6'-[4-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenyl-3',4',8',8'a-tetrahydro-1'H,6'H-spiro[indole-3,7'-pyrrolo[2,1-c][1,4]oxazine]-1(2H)-carbonyl}valinate
| Molecular Formula | C58H57N5O10S |
|---|---|
| Molecular Weight | 1015.38 g/mol |
| LogP | 8.3156 |
| Topological Polar Surface Area | 196.93 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 1015.3826 |
| Heavy Atoms | 74 |
| Complexity | 3114.8032 |
Chemical Identifiers
| CAS Number | 5225-20-7 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3(CCCCCC3)O)C4(C1=O)C(C5C(=O)OC(C(N5C4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=NC1=CC=CC=C1S9 |
Product Overview
SpOx1_002351 (CAS 5225-20-7), with molecular formula C58H57N5O10S and molecular weight 1015.38 g/mol. IUPAC: methyl 2-[[8-(1,3-benzothiazol-2-ylcarbamoyl)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carbonyl]amino]-3-methylbutanoate.
Chemical Property Profile of SpOx1_002351
Property Insights of SpOx1_002351
The XLogP value of 8.3156 indicates that SpOx1_002351 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.93 Ų indicates high polarity, suggesting SpOx1_002351 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SpOx1_002351 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SpOx1_002351?
The CAS number of SpOx1_002351 is 5225-20-7.
What is the molecular formula of SpOx1_002351?
The molecular formula of SpOx1_002351 is C58H57N5O10S.
What is the molecular weight of SpOx1_002351?
The molecular weight of SpOx1_002351 is 1015.38 g/mol.
Where can I buy SpOx1_002351?
You can request a quote for SpOx1_002351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SpOx1_002351?
Yes, KEHONG BIO provides custom synthesis services for SpOx1_002351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.