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CAS 37831-70-2 phaseollidin molecular structure lightbox
CAS RN: 37831-70-2

phaseollidin

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251128 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS37831-70-2
  • Purity/Analytical Methods: >99.0%
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37831-70-2 / (6aR,11aR)-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol

Standard CAS: 37831-70-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37831-70-2
Multi CAS
Yes
Molecular Formula
C20H20O4
Molecular Weight
324.400000
Exact Mass
324.136159
InChI
InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1
InChIKey
OFWYIUYVHYPQNX-JXFKEZNVSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
90.95
TPSA
58.92

LogP / Solubility

WLOGP
4.22
MLOGP
3.73
XLogP3
4.2
Consensus LogP
4.05
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
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)
-1.71

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
4

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