RefChem:106722
TL;DR: RefChem:106722 (CAS 68928-77-8) is a chemical compound with molecular formula C63H116O12S3 and molecular weight 1160.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyldodecyl 3-[3-[2,2-bis[3-[3-(11-methyldodecoxy)-3-oxopropyl]sulfanylpropanoyloxymethyl]butoxy]-3-oxopropyl]sulfanylpropanoate
Also Known As: 11-methyldodecyl 3-[3-[2,2-bis[3-[3-(11-methyldodecoxy)-3-oxopropyl]sulfanylpropanoyloxymethyl]butoxy]-3-oxopropyl]sulfanylpropanoate, 8,12-Dioxa-4,16-dithianonadecanedioic acid, 10-ethyl-10-((3-((3-(isotridecyloxy)-3-oxopropyl)thio)-1-oxopropoxy)methyl)-, 1,19-diisotridecyl ester, 8,12-Dioxa-4,16-dithianonadecanedioic acid, 10-ethyl-10-((3-((3-(isotridecyloxy)-3-oxopropyl)thio)-1-oxopropoxy)methyl)-, diisotridecyl ester, bis(11-methyldodecyl) 10-ethyl-10-({[3-({3-[(11-methyldodecyl)oxy]-3-oxopropyl}sulfanyl)propanoyl]oxy}methyl)-7,13-dioxo-8,12-dioxa-4,16-dithianonadecane-1,19-dioate, 8,12-Dioxa-4,16-dithianonadecanedioic acid, 10-ethyl-10-[[3-[[3-(isotridecyloxy)-3-oxopropyl]thio]-1-oxopropoxy]methyl]-, 1,19-diisotridecyl ester
| Molecular Formula | C63H116O12S3 |
|---|---|
| Molecular Weight | 1160.76 g/mol |
| LogP | 19.6 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 64 |
| Exact Mass | 1160.763 |
| Heavy Atoms | 78 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 68928-77-8 |
|---|---|
| SMILES | CCC(COC(=O)CCSCCC(=O)OCCCCCCCCCCC(C)C)(COC(=O)CCSCCC(=O)OCCCCCCCCCCC(C)C)COC(=O)CCSCCC(=O)OCCCCCCCCCCC(C)C |
| InChIKey | WVQGDAYITVCNMT-UHFFFAOYSA-N |
Product Overview
RefChem:106722 (CAS 68928-77-8), with molecular formula C63H116O12S3 and molecular weight 1160.76 g/mol. IUPAC: 11-methyldodecyl 3-[3-[2,2-bis[3-[3-(11-methyldodecoxy)-3-oxopropyl]sulfanylpropanoyloxymethyl]butoxy]-3-oxopropyl]sulfanylpropanoate.
Chemical Property Profile of RefChem:106722
Property Insights of RefChem:106722
The XLogP value of 19.6 indicates that RefChem:106722 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 234.0 Ų indicates high polarity, suggesting RefChem:106722 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:106722 has 0 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 RefChem:106722?
The CAS number of RefChem:106722 is 68928-77-8.
What is the molecular formula of RefChem:106722?
The molecular formula of RefChem:106722 is C63H116O12S3.
What is the molecular weight of RefChem:106722?
The molecular weight of RefChem:106722 is 1160.76 g/mol.
Where can I buy RefChem:106722?
You can request a quote for RefChem:106722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:106722?
Yes, KEHONG BIO provides custom synthesis services for RefChem:106722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.