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CAS 7437-55-0 XANTHOTOXOL GERANYL ETHER molecular structure lightbox
CAS RN: 7437-55-0

XANTHOTOXOL GERANYL ETHER

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7 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 10mg In stock Shanghai Inquiry
Batchno.20260416 1mg Out of stock Inquiry
Batchno.20250619 1mg In stock Shanghai, Shandong Inquiry
Batchno.20250330 25mg In stock Shanghai Inquiry
Batchno.20250712 50mg Out of stock Inquiry
Batchno.20260130 5mg Out of stock Inquiry
Batchno.20260115 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS7437-55-0
  • Purity/Analytical Methods: >99.0%
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7437-55-0 / 9-(3,7-dimethylocta-2,6-dienoxy)furo[3,2-g]chromen-7-one

Standard CAS: 7437-55-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7437-55-0
Multi CAS
Yes
Molecular Formula
C21H22O4
Molecular Weight
338.400000
Exact Mass
338.151809
InChI
InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
InChIKey
SOVNCTNQAWWYAQ-OQLLNIDSSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
13
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
100.17
TPSA
52.58

LogP / Solubility

WLOGP
5.61
MLOGP
4.95
XLogP3
5.3
Consensus LogP
5.29
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.24
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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