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CAS 263249-77-0 Perilloxin molecular structure lightbox
CAS RN: 263249-77-0

Perilloxin

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 5mg Out of stock 30 business days Inquiry
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Batchno.20250104 5mg Out of stock Inquiry
  • Product code: starshine_CAS263249-77-0
  • Purity/Analytical Methods: >99.0%
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263249-77-0 / 2-[(2R)-5-methoxy-2,3-dihydrofuro[3,2-i][3]benzoxepin-2-yl]propan-2-ol

Standard CAS: 263249-77-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263249-77-0
Multi CAS
No
Molecular Formula
C16H18O4
Molecular Weight
274.310000
Exact Mass
274.120509
SMILES
CC(C)([C@H]1CC2=CC(=C3C=COC=CC3=C2O1)OC)O
InChI
InChI=1S/C16H18O4/c1-16(2,17)14-9-10-8-13(18-3)11-4-6-19-7-5-12(11)15(10)20-14/h4-8,14,17H,9H2,1-3H3/t14-/m1/s1
InChIKey
SOTPZHKVANVGAN-CQSZACIVSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.56
TPSA
47.92

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.5
Consensus LogP
2.55
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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