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CAS 891182-93-7 4-[(2S,3S)-2,3-Dihydro-7-methoxy-3-methyl-5-(1E)-1-propen-1-yl-2-benzofuranyl]-2,6-dimethoxyphenol molecular structure lightbox
CAS RN: 891182-93-7

4-[(2S,3S)-2,3-Dihydro-7-methoxy-3-methyl-5-(1E)-1-propen-1-yl-2-benzofuranyl]-2,6-dimethoxyphenol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS891182-93-7
  • Purity/Analytical Methods: >99.0%
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891182-93-7 / 2,6-dimethoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol

Standard CAS: 891182-93-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
891182-93-7
Multi CAS
Yes
Molecular Formula
C21H24O5
Molecular Weight
356.400000
Exact Mass
356.162374
InChI
InChI=1S/C21H24O5/c1-6-7-13-8-15-12(2)20(26-21(15)18(9-13)25-5)14-10-16(23-3)19(22)17(11-14)24-4/h6-12,20,22H,1-5H3/b7-6+/t12-,20-/m0/s1
InChIKey
LYZVPGMCGPXCQO-QWTYKDCCSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
100.7
TPSA
57.15

LogP / Solubility

WLOGP
4.69
MLOGP
4.14
XLogP3
4.4
Consensus LogP
4.41
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.47
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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