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CAS 14348-22-2 CNIDILIN molecular structure lightbox
CAS RN: 14348-22-2

CNIDILIN

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250331 10mg In stock Shanghai Inquiry
Batchno.20260510 1mg In stock Shanghai Inquiry
Batchno.20250402 25mg In stock Shanghai Inquiry
Batchno.20250204 5mg In stock Shanghai Inquiry
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Batchno.20250301 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS14348-22-2
  • Purity/Analytical Methods: >99.0%
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14348-22-2 / 9-methoxy-4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one

Standard CAS: 14348-22-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14348-22-2
Multi CAS
No
Molecular Formula
C17H16O5
Molecular Weight
300.300000
Exact Mass
300.099774
SMILES
CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)C
InChI
InChI=1S/C17H16O5/c1-10(2)6-8-20-14-11-4-5-13(18)22-16(11)17(19-3)15-12(14)7-9-21-15/h4-7,9H,8H2,1-3H3
InChIKey
NNDOCYLWULORAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
13
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
83.73
TPSA
61.81

LogP / Solubility

WLOGP
3.89
MLOGP
3.44
XLogP3
3.4
Consensus LogP
3.58
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.79

Drug-likeness / Medicinal Chemistry

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

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