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CAS 68236-13-5 6-PRENYLNARINGENIN molecular structure lightbox
CAS RN: 68236-13-5

6-PRENYLNARINGENIN

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5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250619 5mg / 10mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250114 100mg In stock Shanghai Inquiry
Batchno.20251004 250mg Out of stock Inquiry
Batchno.20251202 25mg Out of stock Inquiry
Batchno.20260402 50mg Out of stock Inquiry
  • Product code: starshine_CAS68236-13-5
  • Purity/Analytical Methods: >99.0%
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68236-13-5 / (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Standard CAS: 68236-13-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68236-13-5
Multi CAS
Yes
Molecular Formula
C20H20O5
Molecular Weight
340.400000
Exact Mass
340.131074
InChI
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3/t17-/m0/s1
InChIKey
YHWNASRGLKJRJJ-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
93.33
TPSA
86.99

LogP / Solubility

WLOGP
4.02
MLOGP
3.55
XLogP3
4.3
Consensus LogP
3.96
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

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
3

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