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CAS 75251-80-8 N-(TERT-BUTOXYCARBONYL)-D-GLUCOSAMINE molecular structure lightbox
CAS RN: 75251-80-8

N-(TERT-BUTOXYCARBONYL)-D-GLUCOSAMINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260516 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS75251-80-8
  • Purity/Analytical Methods: >99.0%
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75251-80-8 / tert-butyl N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate

Standard CAS: 75251-80-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75251-80-8
Multi CAS
Yes
Molecular Formula
C11H21NO7
Molecular Weight
279.290000
Exact Mass
279.131802
InChI
InChI=1S/C11H21NO7/c1-11(2,3)19-10(17)12-6-8(15)7(14)5(4-13)18-9(6)16/h5-9,13-16H,4H2,1-3H3,(H,12,17)
InChIKey
CQWFSMWAGKKQJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
5
Molar refractivity
63.14
TPSA
128.48

LogP / Solubility

WLOGP
-1.69
MLOGP
-1.48
XLogP3
-0.3
Consensus LogP
-1.16
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-5.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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