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CAS 343315-27-5 Mono-(6-(tetraethylenepentamine)-6-deoxy)-beta-Cyclodextrin molecular structure lightbox
CAS RN: 343315-27-5

Mono-(6-(tetraethylenepentamine)-6-deoxy)-beta-Cyclodextrin

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250729 1g In stock Shanghai Inquiry
Batchno.20250807 250mg In stock Shanghai, Shandong Inquiry
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Batchno.20250531 250mg Out of stock Inquiry
  • Product code: starshine_CAS343315-27-5
  • Purity/Analytical Methods: >99.0%
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343315-27-5 / 5-[[2-[2-[2-(2-aminoethylamino)ethylamino]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: 343315-27-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
343315-27-5
Multi CAS
Yes
Molecular Formula
C50H91N5O34
Molecular Weight
1306.300000
Exact Mass
1305.554545
InChI
InChI=1S/C50H91N5O34/c51-1-2-52-3-4-53-5-6-54-7-8-55-9-16-37-23(62)30(69)44(76-16)84-38-17(10-56)78-46(32(71)25(38)64)86-40-19(12-58)80-48(34(73)27(40)66)88-42-21(14-60)82-50(36(75)29(42)68)89-43-22(15-61)81-49(35(74)28(43)67)87-41-20(13-59)79-47(33(72)26(41)65)85-39-18(11-57)77-45(83-37)31(70)24(39)63/h16-50,52-75H,1-15,51H2
InChIKey
MVUUNAABEYLRIC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
89
Fraction Csp3
1
Rotatable bonds
19
H-bond acceptors
39
H-bond donors
25
Molar refractivity
281.88
TPSA
607.96

LogP / Solubility

WLOGP
-16.91
MLOGP
-14.74
XLogP3
-17
Consensus LogP
-16.22
Log S (ESOL)
3.97
Class (ESOL)
Highly soluble
Log S (Ali)
1.93
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.6
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)
-22.69

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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