Trehalose dimycolate
TL;DR: Trehalose dimycolate (CAS 61512-20-7) is a chemical compound with molecular formula C130H250O15 and molecular weight 2051.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[2-[1-hydroxy-12-(2-octadecylcyclopropyl)dodecyl]hexacosanoyloxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-[10-(2-octadecylcyclopropyl)decyl]octacosanoate
Also Known As: Trehalose dimycolate, Cord factor, Cord Factor(s), Mycobacterial trehalose dimycolate, TDM
| Molecular Formula | C130H250O15 |
|---|---|
| Molecular Weight | 2051.88 g/mol |
| LogP | 52.5 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 116 |
| Exact Mass | 2051.88 |
| Heavy Atoms | 145 |
| Complexity | 2710.0 |
Chemical Identifiers
| CAS Number | 61512-20-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC)C(=O)OCC2C(C(C(C(O2)OC3C(C(C(C(O3)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCC4CC4CCCCCCCCCCCCCCCCCC)O)O)O)O)O)O)O)O |
| InChIKey | DJUMKUNMJWRLAX-UHFFFAOYSA-N |
Product Overview
Trehalose dimycolate (CAS 61512-20-7), with molecular formula C130H250O15 and molecular weight 2051.88 g/mol. IUPAC: [3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[2-[1-hydroxy-12-(2-octadecylcyclopropyl)dodecyl]hexacosanoyloxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-[10-(2-octadecylcyclopropyl)decyl]octacosanoate.
Chemical Property Profile of Trehalose dimycolate
Property Insights of Trehalose dimycolate
The XLogP value of 52.5 indicates that Trehalose dimycolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 242.0 Ų indicates high polarity, suggesting Trehalose dimycolate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trehalose dimycolate has 8 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 Trehalose dimycolate?
The CAS number of Trehalose dimycolate is 61512-20-7.
What is the molecular formula of Trehalose dimycolate?
The molecular formula of Trehalose dimycolate is C130H250O15.
What is the molecular weight of Trehalose dimycolate?
The molecular weight of Trehalose dimycolate is 2051.88 g/mol.
Where can I buy Trehalose dimycolate?
You can request a quote for Trehalose dimycolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trehalose dimycolate?
Yes, KEHONG BIO provides custom synthesis services for Trehalose dimycolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.