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CAS 55487-93-9 4-METHYLUMBELLIFERYL-BETA-D-FUCOPYRANOSIDE molecular structure lightbox
CAS RN: 55487-93-9

4-METHYLUMBELLIFERYL-BETA-D-FUCOPYRANOSIDE

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250121 100mg Out of stock Inquiry
Batchno.20250106 250mg Out of stock Inquiry
  • Product code: starshine_CAS55487-93-9
  • Purity/Analytical Methods: >99.0%
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55487-93-9 / 4-methyl-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-2-one

Standard CAS: 55487-93-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55487-93-9
Multi CAS
Yes
Molecular Formula
C16H18O7
Molecular Weight
322.310000
Exact Mass
322.105253
InChI
InChI=1S/C16H18O7/c1-7-5-12(17)23-11-6-9(3-4-10(7)11)22-16-15(20)14(19)13(18)8(2)21-16/h3-6,8,13-16,18-20H,1-2H3/t8-,13+,14+,15-,16+/m1/s1
InChIKey
CQKHENXHLAUMBH-OSLYUKSHSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
3
Molar refractivity
80.2
TPSA
109.36

LogP / Solubility

WLOGP
0.31
MLOGP
0.29
XLogP3
-0.3
Consensus LogP
0.1
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately 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)
-4.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5

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