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CAS 195385-93-4 4-Methylumbelliferyl β-D-Ribofuranoside molecular structure lightbox
CAS RN: 195385-93-4

4-Methylumbelliferyl β-D-Ribofuranoside

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260630 100mg In stock Shanghai Inquiry
Batchno.20250926 25mg In stock Shanghai, Shandong Inquiry
  • Product code: ICTM3027
  • Purity/Analytical Methods: >98.0%(HPLC)
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195385-93-4 / 7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-methylchromen-2-one

Standard CAS: 195385-93-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
195385-93-4
Multi CAS
No
Molecular Formula
C15H16O7
Molecular Weight
308.280000
Exact Mass
308.089603
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C15H16O7/c1-7-4-12(17)21-10-5-8(2-3-9(7)10)20-15-14(19)13(18)11(6-16)22-15/h2-5,11,13-16,18-19H,6H2,1H3/t11-,13-,14-,15-/m1/s1
InChIKey
FAGLTVBWEMHJRP-NMFUWQPSSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
3
Molar refractivity
75.61
TPSA
109.36

LogP / Solubility

WLOGP
-0.08
MLOGP
-0.06
XLogP3
-0.2
Consensus LogP
-0.11
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-4.66

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
4.5

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