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CAS 149305-62-4 3-[(4-ETHENYLPHENYL)METHOXY]-1,2-PROPANEDIOL molecular structure lightbox
CAS RN: 149305-62-4

3-[(4-ETHENYLPHENYL)METHOXY]-1,2-PROPANEDIOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250525 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS149305-62-4
  • Purity/Analytical Methods: >99.0%
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149305-62-4 / 3-[(4-ethenylphenyl)methoxy]propane-1,2-diol

Standard CAS: 149305-62-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149305-62-4
Multi CAS
No
Molecular Formula
C12H16O3
Molecular Weight
208.250000
Exact Mass
208.109944
SMILES
C=CC1=CC=C(C=C1)COCC(CO)O
InChI
InChI=1S/C12H16O3/c1-2-10-3-5-11(6-4-10)8-15-9-12(14)7-13/h2-6,12-14H,1,7-9H2
InChIKey
DMLOEBMSYNOCQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.28
TPSA
49.69

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1
Consensus LogP
1.09
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately 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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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