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CAS 5617-87-8 3-CYCLOPROPYL-3-HYDROXYPROPANOIC ACID molecular structure lightbox
CAS RN: 5617-87-8

3-CYCLOPROPYL-3-HYDROXYPROPANOIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250508 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5617-87-8
  • Purity/Analytical Methods: >99.0%
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5617-87-8 / 3-cyclopropyl-3-hydroxypropanoic acid

Standard CAS: 5617-87-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5617-87-8
Multi CAS
Yes
Molecular Formula
C6H10O3
Molecular Weight
130.140000
Exact Mass
130.062994
InChI
InChI=1S/C6H10O3/c7-5(3-6(8)9)4-1-2-4/h4-5,7H,1-3H2,(H,8,9)
InChIKey
VAXCCCJBMJTPIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.98
TPSA
57.53

LogP / Solubility

WLOGP
0.23
MLOGP
0.2
XLogP3
-0.1
Consensus LogP
0.11
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.06
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)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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