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CAS 65294-32-8 mono-(6-(diethylenetriamine)-6-deoxy)-β-Cyclodextrin molecular structure lightbox
CAS RN: 65294-32-8

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

Product Availability

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250210 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251231 1g Out of stock Inquiry
Batchno.20251023 250mg Out of stock Inquiry
Batchno.20251227 5g Out of stock Inquiry
  • Product code: starshine_CAS65294-32-8
  • Purity/Analytical Methods: >99.0%
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65294-32-8 / (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-aminoethylamino)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: 65294-32-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65294-32-8
Multi CAS
Yes
Molecular Formula
C46H81N3O34
Molecular Weight
1220.100000
Exact Mass
1219.470147
InChI
InChI=1S/C46H81N3O34/c47-1-2-48-3-4-49-5-12-33-19(56)26(63)40(70-12)78-34-13(6-50)72-42(28(65)21(34)58)80-36-15(8-52)74-44(30(67)23(36)60)82-38-17(10-54)76-46(32(69)25(38)62)83-39-18(11-55)75-45(31(68)24(39)61)81-37-16(9-53)73-43(29(66)22(37)59)79-35-14(7-51)71-41(77-33)27(64)20(35)57/h12-46,48-69H,1-11,47H2/t12-,13-,14-,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-/m1/s1
InChIKey
FUVJKMDJYLUFBZ-ITVKMGITSA-N

Computed Properties

Structural Parameters

Heavy atom count
83
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
37
H-bond donors
23
Molar refractivity
256.14
TPSA
583.9

LogP / Solubility

WLOGP
-16.08
MLOGP
-14.03
XLogP3
-16.1
Consensus LogP
-15.4
Log S (ESOL)
3.59
Class (ESOL)
Highly soluble
Log S (Ali)
2.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.2
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)
-21.58

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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