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CAS 58989-36-9 4-Methylumbelliferyl b-D-glucosaminide molecular structure lightbox
CAS RN: 58989-36-9

4-Methylumbelliferyl b-D-glucosaminide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250112 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS58989-36-9
  • Purity/Analytical Methods: >99.0%
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58989-36-9 / 7-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-methylchromen-2-one

Standard CAS: 58989-36-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58989-36-9
Multi CAS
Yes
Molecular Formula
C16H19NO7
Molecular Weight
337.320000
Exact Mass
337.116152
InChI
InChI=1S/C16H19NO7/c1-7-4-12(19)23-10-5-8(2-3-9(7)10)22-16-13(17)15(21)14(20)11(6-18)24-16/h2-5,11,13-16,18,20-21H,6,17H2,1H3/t11-,13-,14-,15-,16-/m1/s1
InChIKey
XPBYRVZLJCNXMD-JPIRQXTESA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
4
Molar refractivity
83.58
TPSA
135.38

LogP / Solubility

WLOGP
-0.75
MLOGP
-0.65
XLogP3
-1
Consensus LogP
-0.8
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
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)
-5.31

Drug-likeness / Medicinal Chemistry

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

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