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CAS 70005-86-6 N-UNDECYL BETA-D-GLUCOPYRANOSIDE molecular structure lightbox
CAS RN: 70005-86-6

N-UNDECYL BETA-D-GLUCOPYRANOSIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS70005-86-6
  • Purity/Analytical Methods: >99.0%
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70005-86-6 / 2-(hydroxymethyl)-6-undecoxyoxane-3,4,5-triol

Standard CAS: 70005-86-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70005-86-6
Multi CAS
Yes
Molecular Formula
C17H34O6
Molecular Weight
334.400000
Exact Mass
334.235539
InChI
InChI=1S/C17H34O6/c1-2-3-4-5-6-7-8-9-10-11-22-17-16(21)15(20)14(19)13(12-18)23-17/h13-21H,2-12H2,1H3/t13-,14-,15+,16-,17-/m1/s1
InChIKey
ULDAPNVYSDTSFM-NQNKBUKLSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
4
Molar refractivity
86.95
TPSA
99.38

LogP / Solubility

WLOGP
1.33
MLOGP
1.19
XLogP3
3
Consensus LogP
1.84
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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