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CAS 37353-75-6 Propoxylated Bisphenol A molecular structure lightbox
CAS RN: 37353-75-6

Propoxylated Bisphenol A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251003 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS37353-75-6
  • Purity/Analytical Methods: >99.0%
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37353-75-6 / 1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol

Standard CAS: 37353-75-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
37353-75-6
Multi CAS
No
Molecular Formula
C21H28O4
Molecular Weight
344.400000
Exact Mass
344.198759
InChI
InChI=1S/C21H28O4/c1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23/h5-12,15-16,22-23H,13-14H2,1-4H3
InChIKey
MIUUNYUUEFHIHM-UHFFFAOYSA-N

Physical Properties

Physical Description
White flakes

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
99.36
TPSA
58.92

LogP / Solubility

WLOGP
3.53
MLOGP
3.13
XLogP3
4.2
Consensus LogP
3.62
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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