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CAS 90414-36-1 (S)-methyl 3,4-dihydroxybutanoate molecular structure lightbox
CAS RN: 90414-36-1

(S)-methyl 3,4-dihydroxybutanoate

  • Product code: SSC-202924
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 90414-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

90414-36-1 / methyl 3,4-dihydroxybutanoate

Standard CAS: 90414-36-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90414-36-1
Multi CAS
Yes
Molecular Formula
C5H10O4
Molecular Weight
134.130000
Exact Mass
134.057909
InChI
InChI=1S/C5H10O4/c1-9-5(8)2-4(7)3-6/h4,6-7H,2-3H2,1H3
InChIKey
KCKWOJWPEXHLOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
29.73
TPSA
66.76

LogP / Solubility

WLOGP
-1.1
MLOGP
-0.97
XLogP3
-1.3
Consensus LogP
-1.12
Log S (ESOL)
0.22
Class (ESOL)
Highly soluble
Log S (Ali)
0.13
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.02
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.32

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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