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CAS 40149-32-4 Propanoic acid, 3-chloro-2-hydroxy-, ethyl ester molecular structure lightbox
CAS RN: 40149-32-4

Propanoic acid, 3-chloro-2-hydroxy-, ethyl ester

  • Product code: SSC-148141
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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: ＞97%
  • 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 40149-32-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

40149-32-4 / ethyl 3-chloro-2-hydroxypropanoate

Standard CAS: 40149-32-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40149-32-4
Multi CAS
No
Molecular Formula
C5H9CLO3
Molecular Weight
152.570000
Exact Mass
152.024022
InChI
InChI=1S/C5H9ClO3/c1-2-9-5(8)4(7)3-6/h4,7H,2-3H2,1H3
InChIKey
AYXGLGKNUAYZPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.36
TPSA
46.53

LogP / Solubility

WLOGP
0.15
MLOGP
0.13
XLogP3
0.5
Consensus LogP
0.26
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
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)
-3.54

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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