Orf 13811
TL;DR: Orf 13811 (CAS 89416-07-9) is a chemical compound with molecular formula C40H66CaO10 and molecular weight 746.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2-[4-(5-hydroxy-4,8-dimethylnon-7-enyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octan-1-yl]acetate)
Also Known As: Orf 13811, calcium bis[2,7:3,6-dianhydro-6-(carboxylatomethyl)-1,4,5-trideoxy-2-(5-hydroxy-4,8-dimethylnon-7-en-1-yl)heptitol], Calcium;2-[4-(5-hydroxy-4,8-dimethylnon-7-enyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octan-1-yl]acetate, 3,8-Dioxabicyclo(3.2.1)octane-1-acetic acid, 4-(5-hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl-, calcium salt (2:1), 4-(5-Hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane-1-acetic acid
| Molecular Formula | C40H66CaO10 |
|---|---|
| Molecular Weight | 746.43 g/mol |
| LogP | 4.3326 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 746.42816 |
| Heavy Atoms | 51 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 89416-07-9 |
|---|---|
| SMILES | CC(CCCC1(C2CCC(O2)(CO1)CC(=O)[O-])C)C(CC=C(C)C)O.CC(CCCC1(C2CCC(O2)(CO1)CC(=O)[O-])C)C(CC=C(C)C)O.[Ca+2] |
| InChIKey | CYGFELACLUIGFX-UHFFFAOYSA-L |
Product Overview
Orf 13811 (CAS 89416-07-9), with molecular formula C40H66CaO10 and molecular weight 746.43 g/mol. IUPAC: calcium bis(2-[4-(5-hydroxy-4,8-dimethylnon-7-enyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octan-1-yl]acetate).
Chemical Property Profile of Orf 13811
Property Insights of Orf 13811
The XLogP value of 4.3326 indicates that Orf 13811 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Orf 13811 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Orf 13811 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Orf 13811?
The CAS number of Orf 13811 is 89416-07-9.
What is the molecular formula of Orf 13811?
The molecular formula of Orf 13811 is C40H66CaO10.
What is the molecular weight of Orf 13811?
The molecular weight of Orf 13811 is 746.43 g/mol.
Where can I buy Orf 13811?
You can request a quote for Orf 13811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orf 13811?
Yes, KEHONG BIO provides custom synthesis services for Orf 13811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.