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CAS 56488-59-6 Terbufibrol molecular structure lightbox
CAS RN: 56488-59-6

Terbufibrol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260128 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS56488-59-6
  • Purity/Analytical Methods: >99.0%
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56488-59-6 / 4-[3-(4-tert-butylphenoxy)-2-hydroxypropoxy]benzoic acid

Standard CAS: 56488-59-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56488-59-6
Multi CAS
No
Molecular Formula
C20H24O5
Molecular Weight
344.400000
Exact Mass
344.162374
InChI
InChI=1S/C20H24O5/c1-20(2,3)15-6-10-18(11-7-15)25-13-16(21)12-24-17-8-4-14(5-9-17)19(22)23/h4-11,16,21H,12-13H2,1-3H3,(H,22,23)
InChIKey
PXODZCMXOZRVEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
95.54
TPSA
75.99

LogP / Solubility

WLOGP
3.5
MLOGP
3.1
XLogP3
4.1
Consensus LogP
3.57
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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