CAS RN: 38765-83-2

BUTYRIC-1-13C ACID

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250427 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS38765-83-2
  • Purity/Analytical Methods: >99.0%
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38765-83-2 / (113C)butanoic acid

Standard CAS: 38765-83-2 Multi CAS: No

Basic Information

CAS
38765-83-2
Multi CAS
No
Molecular Formula
C4H8O2
Molecular Weight
89.100000
Exact Mass
89.055784
InChI
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/i4+1
InChIKey
FERIUCNNQQJTOY-AZXPZELESA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
22.54
TPSA
37.3

LogP / Solubility

WLOGP
0.87
MLOGP
0.75
XLogP3
0.8
Consensus LogP
0.81
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.2
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)
-2.64

Drug-likeness / Medicinal Chemistry

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

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