1,3-Trimethylene thymine cyclic tetramer
TL;DR: 1,3-Trimethylene thymine cyclic tetramer (CAS 8013-42-1) is a chemical compound with molecular formula C32H40N8O8 and molecular weight 664.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,15,23,31-tetramethyl-1,5,9,13,17,21,25,29-octazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-7,14,23,30-tetraene-6,16,22,32,33,34,35,36-octone
Also Known As: 1,3-Ttct, 1,3-Trimethylene thymine cyclic tetramer, 7,15,23,31-tetramethyl-1,5,9,13,17,21,25,29-octaazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-7,14,23,30-tetraene-6,16,22,32,33,34,35,36-octone, 1,5,9,13,17,21,25,29-Octaazapentacyclo(27.3.1.15,9.113,17.121,25)hexatriaconta-7,14,23,30-tetraene-6,16,22,32,33,34,35,36-octone, 7,15,23,31-tetramethyl-, 1~5~,5~5~,9~5~,13~5~-Tetramethyl-1~2~H,1~4~H,5~2~H,5~4~H,9~2~H,9~6~H,13~2~H,13~4~H-1,5,9,13(1,3)-tetrapyrimidinacyclohexadecaphane-1~2~,1~4~,5~2~,5~4~,9~2~,9~6~,13~2~,13~4~-octone
| Molecular Formula | C32H40N8O8 |
|---|---|
| Molecular Weight | 664.30 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 664.29694 |
| Heavy Atoms | 48 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 8013-42-1 |
|---|---|
| SMILES | CC1=CN2CCCN3C=C(C(=O)N(C3=O)CCCN4C(=O)C(=CN(C4=O)CCCN5C=C(C(=O)N(C5=O)CCCN(C1=O)C2=O)C)C)C |
| InChIKey | ZKCMPSNOGVCLMX-UHFFFAOYSA-N |
Product Overview
1,3-Trimethylene thymine cyclic tetramer (CAS 8013-42-1), with molecular formula C32H40N8O8 and molecular weight 664.30 g/mol. IUPAC: 7,15,23,31-tetramethyl-1,5,9,13,17,21,25,29-octazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-7,14,23,30-tetraene-6,16,22,32,33,34,35,36-octone.
Chemical Property Profile of 1,3-Trimethylene thymine cyclic tetramer
Property Insights of 1,3-Trimethylene thymine cyclic tetramer
The XLogP value of -0.4 indicates that 1,3-Trimethylene thymine cyclic tetramer is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.0 Ų indicates high polarity, suggesting 1,3-Trimethylene thymine cyclic tetramer may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Trimethylene thymine cyclic tetramer has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Trimethylene thymine cyclic tetramer?
The CAS number of 1,3-Trimethylene thymine cyclic tetramer is 8013-42-1.
What is the molecular formula of 1,3-Trimethylene thymine cyclic tetramer?
The molecular formula of 1,3-Trimethylene thymine cyclic tetramer is C32H40N8O8.
What is the molecular weight of 1,3-Trimethylene thymine cyclic tetramer?
The molecular weight of 1,3-Trimethylene thymine cyclic tetramer is 664.30 g/mol.
Where can I buy 1,3-Trimethylene thymine cyclic tetramer?
You can request a quote for 1,3-Trimethylene thymine cyclic tetramer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Trimethylene thymine cyclic tetramer?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Trimethylene thymine cyclic tetramer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.