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CAS 3368-04-5 4-Methylumbelliferyl Phosphate molecular structure lightbox
CAS RN: 3368-04-5

4-Methylumbelliferyl Phosphate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251229 100mg In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20251023 1g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250128 500mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20251216 5g In stock Shanghai Inquiry
  • Product code: ICTP1060
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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3368-04-5 / (4-methyl-2-oxochromen-7-yl) dihydrogen phosphate

Standard CAS: 3368-04-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3368-04-5
Multi CAS
Yes
Molecular Formula
C10H9O6P
Molecular Weight
256.150000
Exact Mass
256.013675
InChI
InChI=1S/C10H9O6P/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H2,12,13,14)
InChIKey
BCHIXGBGRHLSBE-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.89
TPSA
96.97

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
0.6
Consensus LogP
1.19
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17

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
1.5

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