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CAS 137319-34-7 Dehydro Effusol molecular structure lightbox
CAS RN: 137319-34-7

Dehydro Effusol

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260419 10mg In stock Shanghai Inquiry
Batchno.20260109 1mg Out of stock Inquiry
Batchno.20250411 25mg In stock Shanghai Inquiry
Batchno.20251130 50mg Out of stock Inquiry
Batchno.20250420 5mg Out of stock Inquiry
  • Product code: starshine_CAS137319-34-7
  • Purity/Analytical Methods: >99.0%
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137319-34-7 / 5-ethenyl-1-methylphenanthrene-2,7-diol

Standard CAS: 137319-34-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137319-34-7
Multi CAS
No
Molecular Formula
C17H14O2
Molecular Weight
250.290000
Exact Mass
250.099380
SMILES
CC1=C(C=CC2=C1C=CC3=CC(=CC(=C32)C=C)O)O
InChI
InChI=1S/C17H14O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3-9,18-19H,1H2,2H3
InChIKey
GSSPKCPIRDPBQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
14
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
79.61
TPSA
40.46

LogP / Solubility

WLOGP
4.36
MLOGP
3.84
XLogP3
4.9
Consensus LogP
4.37
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
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)
-1.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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