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CAS 5837-73-0 DL-2-HYDROXY-3-BUTENOIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 5837-73-0

DL-2-HYDROXY-3-BUTENOIC ACID METHYL ESTER

  • Product code: SSC-166607
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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: 1g
  • 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 5837-73-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

5837-73-0 / methyl 2-hydroxybut-3-enoate

Standard CAS: 5837-73-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5837-73-0
Multi CAS
Yes
Molecular Formula
C5H8O3
Molecular Weight
116.110000
Exact Mass
116.047344
InChI
InChI=1S/C5H8O3/c1-3-4(6)5(7)8-2/h3-4,6H,1H2,2H3
InChIKey
JBKTVPSFVUFSAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.22
TPSA
46.53

LogP / Solubility

WLOGP
-0.29
MLOGP
-0.27
XLogP3
0.3
Consensus LogP
-0.09
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
-0.3
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very 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)
-3.64

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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