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CAS 54306-10-4 Kmeriol molecular structure lightbox
CAS RN: 54306-10-4

Kmeriol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250210 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS54306-10-4
  • Purity/Analytical Methods: >99.0%
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54306-10-4 / 3-(3,4,5-trimethoxyphenyl)propane-1,2-diol

Standard CAS: 54306-10-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54306-10-4
Multi CAS
No
Molecular Formula
C12H18O5
Molecular Weight
242.270000
Exact Mass
242.115424
InChI
InChI=1S/C12H18O5/c1-15-10-5-8(4-9(14)7-13)6-11(16-2)12(10)17-3/h5-6,9,13-14H,4,7H2,1-3H3
InChIKey
SNDFRVPKIVPGED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
62.89
TPSA
68.15

LogP / Solubility

WLOGP
0.61
MLOGP
0.54
XLogP3
0.4
Consensus LogP
0.52
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.46
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)
-3.77

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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