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CAS 17833-43-1 4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOPYRANOSIDE HYDRATE molecular structure lightbox
CAS RN: 17833-43-1

4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOPYRANOSIDE HYDRATE

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251014 100mg In stock Inquiry
Batchno.20250610 1g In stock Inquiry
Batchno.20250216 500mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250702 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20260527 1g Out of stock Inquiry
Batchno.20251218 250mg In stock Shanghai, Chengdu Inquiry
  • Product code: starshine_CAS17833-43-1
  • Purity/Analytical Methods: >99.0%
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17833-43-1 / 4-methyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Standard CAS: 17833-43-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17833-43-1
Multi CAS
No
Molecular Formula
C16H18O8
Molecular Weight
338.310000
Exact Mass
338.100168
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16+/m1/s1
InChIKey
YUDPTGPSBJVHCN-JZYAIQKZSA-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
81.62
TPSA
129.59

LogP / Solubility

WLOGP
-0.72
MLOGP
-0.62
XLogP3
-0.8
Consensus LogP
-0.71
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-5.29

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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