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CAS 63440-93-7 Cyclobis(1,4-butylene terephthalate) molecular structure lightbox
CAS RN: 63440-93-7

Cyclobis(1,4-butylene terephthalate)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260411 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS63440-93-7
  • Purity/Analytical Methods: >99.0%
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63440-93-7 / 3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone

Standard CAS: 63440-93-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
63440-93-7
Multi CAS
No
Molecular Formula
C24H24O8
Molecular Weight
440.400000
Exact Mass
440.147118
InChI
InChI=1S/C24H24O8/c25-21-17-5-7-19(8-6-17)23(27)31-15-3-4-16-32-24(28)20-11-9-18(10-12-20)22(26)30-14-2-1-13-29-21/h5-12H,1-4,13-16H2
InChIKey
SFNCDJVWOAZMFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.33
H-bond acceptors
8
Molar refractivity
112.48
TPSA
105.2

LogP / Solubility

WLOGP
3.59
MLOGP
3.19
XLogP3
4.2
Consensus LogP
3.66
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
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
Yes
Log Kp (skin permeation)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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