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CAS 38996-01-9 4-Pentenoic acid, 3-hydroxy-, ethyl ester molecular structure lightbox
CAS RN: 38996-01-9

4-Pentenoic acid, 3-hydroxy-, ethyl ester

  • Product code: SSC-146611
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 38996-01-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

38996-01-9 / ethyl 3-hydroxypent-4-enoate

Standard CAS: 38996-01-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38996-01-9
Multi CAS
No
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
InChI
InChI=1S/C7H12O3/c1-3-6(8)5-7(9)10-4-2/h3,6,8H,1,4-5H2,2H3
InChIKey
QTFCTAJBDSTPSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.45
TPSA
46.53

LogP / Solubility

WLOGP
0.49
MLOGP
0.42
XLogP3
0.4
Consensus LogP
0.44
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-3.25

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
2

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