葫蘆脲
TL;DR: 葫蘆脲 (CAS 80262-44-8) is a chemical compound with molecular formula C36H36N24O12 and molecular weight 996.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
葫蘆脲
3,5,8,10,13,15,18,20,23,25,28,30,31,33,35,37,41,43,45,47,49,51,53,55-tetracosazanonadecacyclo[25.3.3.36,7.311,12.316,17.321,22.22,31.226,33.13,30.15,8.110,13.115,18.120,23.125,28.135,41.137,55.143,45.147,49.151,53]hexacontane-34,36,38,39,40,42,44,46,48,50,52,54-dodecone
Also Known As: Cucurbituril, cucurbit[6]uril, Cucurbit(6)uril, Cucurbituril[6], cucurbit(n)uril
| Molecular Formula | C36H36N24O12 |
|---|---|
| Molecular Weight | 996.29 g/mol |
| LogP | -6.8 |
| Topological Polar Surface Area | 283.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 0 |
| Exact Mass | 996.29443 |
| Heavy Atoms | 72 |
| Complexity | 2140.0 |
Chemical Identifiers
| CAS Number | 80262-44-8 |
|---|---|
| SMILES | C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C1=O |
| InChIKey | MSBXTPRURXJCPF-UHFFFAOYSA-N |
Product Overview
葫蘆脲 (CAS 80262-44-8), with molecular formula C36H36N24O12 and molecular weight 996.29 g/mol. IUPAC: 3,5,8,10,13,15,18,20,23,25,28,30,31,33,35,37,41,43,45,47,49,51,53,55-tetracosazanonadecacyclo[25.3.3.36,7.311,12.316,17.321,22.22,31.226,33.13,30.15,8.110,13.115,18.120,23.125,28.135,41.137,55.143,45.147,49.151,53]hexacontane-34,36,38,39,40,42,44,46,48,50,52,54-dodecone.
Chemical Property Profile of 葫蘆脲
Property Insights of 葫蘆脲
The XLogP value of -6.8 indicates that 葫蘆脲 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 283.0 Ų indicates high polarity, suggesting 葫蘆脲 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 葫蘆脲 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 葫蘆脲?
The CAS number of 葫蘆脲 is 80262-44-8.
What is the molecular formula of 葫蘆脲?
The molecular formula of 葫蘆脲 is C36H36N24O12.
What is the molecular weight of 葫蘆脲?
The molecular weight of 葫蘆脲 is 996.29 g/mol.
Where can I buy 葫蘆脲?
You can request a quote for 葫蘆脲 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 葫蘆脲?
Yes, KEHONG BIO provides custom synthesis services for 葫蘆脲 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.