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CAS 18956-16-6 CARDAMONIN molecular structure lightbox
CAS RN: 18956-16-6

CARDAMONIN

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250101 100mg In stock Shanghai Inquiry
Batchno.20260630 10mg In stock Shanghai Inquiry
Batchno.20260602 1g Out of stock Inquiry
Batchno.20250722 250mg Out of stock Inquiry
Batchno.20260310 25mg In stock Shanghai Inquiry
Batchno.20250403 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS18956-16-6
  • Purity/Analytical Methods: >99.0%
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18956-16-6 / 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one

Standard CAS: 18956-16-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18956-16-6
Multi CAS
No
Molecular Formula
C16H14O4
Molecular Weight
270.280000
Exact Mass
270.089209
SMILES
COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O
InChI
InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+
InChIKey
NYSZJNUIVUBQMM-BQYQJAHWSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
76.13
TPSA
66.76

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
3.5
Consensus LogP
3.05
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

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
1.5

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (95%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501

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