[email protected]
CAS 87172-81-4 ethyl (R)-2-hydroxybutanoate molecular structure lightbox
CAS RN: 87172-81-4

ethyl (R)-2-hydroxybutanoate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251206 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS87172-81-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

87172-81-4 / ethyl 2-hydroxybutanoate

Standard CAS: 87172-81-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87172-81-4
Multi CAS
Yes
Molecular Formula
C6H12O3
Molecular Weight
132.160000
Exact Mass
132.078644
InChI
InChI=1S/C6H12O3/c1-3-5(7)6(8)9-4-2/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChIKey
KWWOQRSLYPHAMK-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.93
TPSA
46.53

LogP / Solubility

WLOGP
0.32
MLOGP
0.27
XLogP3
0.8
Consensus LogP
0.46
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.14
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)
-3.3

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us