CID 113597
TL;DR: CID 113597 (CAS 101544-99-4) is a chemical compound with molecular formula C54H92N2O8 and molecular weight 896.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,3-O-ditridecyl benzene-1,2,3,4-tetracarboxylate
Also Known As: 1,2,3,4-Butanetetracarboxylic acid, mixed 2,2,6,6-tetramethyl-4-piperidinyl and tridecyl tetraesters, 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,4-ditridecyl benzene-1,2,3,4-tetracarboxylate, 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,3-O-ditridecyl benzene-1,2,3,4-tetracarboxylate
| Molecular Formula | C54H92N2O8 |
|---|---|
| Molecular Weight | 896.69 g/mol |
| LogP | 16.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 34 |
| Exact Mass | 896.68536 |
| Heavy Atoms | 64 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 101544-99-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCOC(=O)C1=C(C(=C(C=C1)C(=O)OC2CC(NC(C2)(C)C)(C)C)C(=O)OCCCCCCCCCCCCC)C(=O)OC3CC(NC(C3)(C)C)(C)C |
| InChIKey | PKGRRIWSDIEVAC-UHFFFAOYSA-N |
Product Overview
CID 113597 (CAS 101544-99-4), with molecular formula C54H92N2O8 and molecular weight 896.69 g/mol. IUPAC: 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,3-O-ditridecyl benzene-1,2,3,4-tetracarboxylate.
Chemical Property Profile of CID 113597
Property Insights of CID 113597
The XLogP value of 16.3 indicates that CID 113597 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 113597. Following Lipinski's Rule of Five, CID 113597 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 CID 113597?
The CAS number of CID 113597 is 101544-99-4.
What is the molecular formula of CID 113597?
The molecular formula of CID 113597 is C54H92N2O8.
What is the molecular weight of CID 113597?
The molecular weight of CID 113597 is 896.69 g/mol.
Where can I buy CID 113597?
You can request a quote for CID 113597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 113597?
Yes, KEHONG BIO provides custom synthesis services for CID 113597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.