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CAS 942037-55-0 Adipic Acid-13C6 molecular structure lightbox
CAS RN: 942037-55-0

Adipic Acid-13C6

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260513 10mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS942037-55-0
  • Purity/Analytical Methods: >99.0%
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942037-55-0 / (1,2,3,4,5,6-13C6)hexanedioic acid

Standard CAS: 942037-55-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
942037-55-0
Multi CAS
No
Molecular Formula
C6H10O4
Molecular Weight
152.100000
Exact Mass
152.078038
InChI
InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
WNLRTRBMVRJNCN-IDEBNGHGSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.74
TPSA
74.6

LogP / Solubility

WLOGP
0.72
MLOGP
0.62
XLogP3
0.1
Consensus LogP
0.48
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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