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CAS 65294-33-9 mono-(6-(triethylenetetraamine)-6-deoxy)-β-Cyclodextrin molecular structure lightbox
CAS RN: 65294-33-9

mono-(6-(triethylenetetraamine)-6-deoxy)-β-Cyclodextrin

Product Availability

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7 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251214 1g In stock Shanghai, Chongqing Inquiry
Batchno.20251127 250mg In stock Shanghai Inquiry
Batchno.20260129 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251005 100mg Out of stock Inquiry
Batchno.20260125 1g Out of stock Inquiry
Batchno.20250723 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260209 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS65294-33-9
  • Purity/Analytical Methods: >99.0%
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65294-33-9 / (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5-[[2-[2-(2-aminoethylamino)ethylamino]ethylamino]methyl]-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

Standard CAS: 65294-33-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65294-33-9
Multi CAS
Yes
Molecular Formula
C48H86N4O34
Molecular Weight
1263.200000
Exact Mass
1262.512346
InChI
InChI=1S/C48H86N4O34/c49-1-2-50-3-4-51-5-6-52-7-14-35-21(59)28(66)42(73-14)81-36-15(8-53)75-44(30(68)23(36)61)83-38-17(10-55)77-46(32(70)25(38)63)85-40-19(12-57)79-48(34(72)27(40)65)86-41-20(13-58)78-47(33(71)26(41)64)84-39-18(11-56)76-45(31(69)24(39)62)82-37-16(9-54)74-43(80-35)29(67)22(37)60/h14-48,50-72H,1-13,49H2/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1
InChIKey
HROGENJBMJHDFH-IHHCOHTPSA-N

Computed Properties

Structural Parameters

Heavy atom count
86
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
38
H-bond donors
24
Molar refractivity
269.01
TPSA
595.93

LogP / Solubility

WLOGP
-16.5
MLOGP
-14.39
XLogP3
-16.6
Consensus LogP
-15.83
Log S (ESOL)
3.78
Class (ESOL)
Highly soluble
Log S (Ali)
1.99
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.9
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-22.14

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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