27-methyl 7-O-(4-azidobenzoyl)okadaate
TL;DR: 27-methyl 7-O-(4-azidobenzoyl)okadaate (CAS 130288-23-2) is a chemical compound with molecular formula C52H73N3O14 and molecular weight 965.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)-1-tritiobutyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-8-(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-11-yl] 4-azidobenzoate
Also Known As: 27-Me-7-Abo, 27-Methyl 7-O-(4-azidobenzoyl)okadaate, Acanthifolicin-27-t, 9,10-deepithio-9,10-didehydro-, methyl ester, 7-(4-azidobenzoate), [2-[(E)-4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)-1-tritiobutyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-8-(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1,7-dioxas, [2-[(E)-4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)-1-tritiobutyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-8-(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-11-yl] 4-azidobenzoate
| Molecular Formula | C52H73N3O14 |
|---|---|
| Molecular Weight | 965.52 g/mol |
| LogP | 8.1085 |
| Topological Polar Surface Area | 226.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 965.51746 |
| Heavy Atoms | 69 |
| Complexity | 2174.8574 |
Chemical Identifiers
| CAS Number | 130288-23-2 |
|---|---|
| SMILES | [3H]C(CC(C)C1C(CCC2(O1)CCCCO2)C)(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)/C=C/C(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)OC)O)OC(=O)C8=CC=C(C=C8)N=[N+]=[N-])C)O)O |
Product Overview
27-methyl 7-O-(4-azidobenzoyl)okadaate (CAS 130288-23-2), with molecular formula C52H73N3O14 and molecular weight 965.52 g/mol. IUPAC: [2-[(E)-4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)-1-tritiobutyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-8-(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-11-yl] 4-azidobenzoate.
Chemical Property Profile of 27-methyl 7-O-(4-azidobenzoyl)okadaate
Property Insights of 27-methyl 7-O-(4-azidobenzoyl)okadaate
The XLogP value of 8.1085 indicates that 27-methyl 7-O-(4-azidobenzoyl)okadaate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 226.66 Ų indicates high polarity, suggesting 27-methyl 7-O-(4-azidobenzoyl)okadaate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 27-methyl 7-O-(4-azidobenzoyl)okadaate has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 27-methyl 7-O-(4-azidobenzoyl)okadaate?
The CAS number of 27-methyl 7-O-(4-azidobenzoyl)okadaate is 130288-23-2.
What is the molecular formula of 27-methyl 7-O-(4-azidobenzoyl)okadaate?
The molecular formula of 27-methyl 7-O-(4-azidobenzoyl)okadaate is C52H73N3O14.
What is the molecular weight of 27-methyl 7-O-(4-azidobenzoyl)okadaate?
The molecular weight of 27-methyl 7-O-(4-azidobenzoyl)okadaate is 965.52 g/mol.
Where can I buy 27-methyl 7-O-(4-azidobenzoyl)okadaate?
You can request a quote for 27-methyl 7-O-(4-azidobenzoyl)okadaate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 27-methyl 7-O-(4-azidobenzoyl)okadaate?
Yes, KEHONG BIO provides custom synthesis services for 27-methyl 7-O-(4-azidobenzoyl)okadaate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.