Crypthophane E
TL;DR: Crypthophane E (CAS 102683-14-7) is a chemical compound with molecular formula C57H60O12 and molecular weight 936.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,15,22,29,37,44-hexamethoxy-9,13,31,35,45,49-hexaoxadecacyclo[21.21.5.38,39.317,30.114,18.136,40.03,42.020,25.05,52.027,55]heptapentaconta-1(44),2,5,7,14,16,18(57),20,22,24,27,29,36,38,40(50),42,52,54-octadecaene
Also Known As: Crypthophane E, J1.925.244B, 15,22,37,44,52,56-hexamethoxy-9,13,31,35,45,49-hexaoxadecacyclo[21.21.5.25,8.227,30.16,39.114,18.117,28.136,40.03,42.020,25]heptapentaconta-1,3(42),5,7,14,16,18(55),20(25),21,23,27,29,36,38,40(50),43,52,56-octadecaene, 2,2 -(Trimethylenebisoxy)-7,12 -(trimethylenebisoxy)-7 ,12-(trimethylenebisoxy)bis(3,8,13-trimethoxy-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene), 5 ,6,12 ,13,19 ,20-Hexamethoxy-19,20 -(trimethylenedioxy)-[12,13 -(trimethylenedioxy)-[5,6 -(trimethylenedioxy)bis[tetracyclo[15.4.0.03,8.010,15]henicosane-1(21),3,5,7,10,12,14,17,19-nonaene]]]
| Molecular Formula | C57H60O12 |
|---|---|
| Molecular Weight | 936.41 g/mol |
| LogP | 10.0803 |
| Topological Polar Surface Area | 110.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 936.40845 |
| Heavy Atoms | 69 |
| Complexity | 2370.751 |
Chemical Identifiers
| CAS Number | 102683-14-7 |
|---|---|
| SMILES | COC1=C2C=C3CC4=CC(=C5C=C4CC6=CC(=C(C=C6CC3=C1)OCCCOC7=C(C=C8CC9=CC(=C(C=C9CC1=CC(=C(C=C1CC8=C7)OC)OCCCO5)OC)OCCCO2)OC)OC)OC |
Product Overview
Crypthophane E (CAS 102683-14-7), with molecular formula C57H60O12 and molecular weight 936.41 g/mol. IUPAC: 7,15,22,29,37,44-hexamethoxy-9,13,31,35,45,49-hexaoxadecacyclo[21.21.5.38,39.317,30.114,18.136,40.03,42.020,25.05,52.027,55]heptapentaconta-1(44),2,5,7,14,16,18(57),20,22,24,27,29,36,38,40(50),42,52,54-octadecaene.
Chemical Property Profile of Crypthophane E
Property Insights of Crypthophane E
The XLogP value of 10.0803 indicates that Crypthophane E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Crypthophane E. Following Lipinski's Rule of Five, Crypthophane E 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 Crypthophane E?
The CAS number of Crypthophane E is 102683-14-7.
What is the molecular formula of Crypthophane E?
The molecular formula of Crypthophane E is C57H60O12.
What is the molecular weight of Crypthophane E?
The molecular weight of Crypthophane E is 936.41 g/mol.
Where can I buy Crypthophane E?
You can request a quote for Crypthophane E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crypthophane E?
Yes, KEHONG BIO provides custom synthesis services for Crypthophane E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.