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CAS 272459-61-7 Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate molecular structure lightbox
CAS RN: 272459-61-7

Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate

  • Product code: SSC-126188
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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 272459-61-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

272459-61-7 / methyl 2-(4-hydroxy-1,2-oxazolidine-2-carbonyl)benzoate

Standard CAS: 272459-61-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
272459-61-7
Multi CAS
Yes
Molecular Formula
C12H13NO5
Molecular Weight
251.230000
Exact Mass
251.079373
InChI
InChI=1S/C12H13NO5/c1-17-12(16)10-5-3-2-4-9(10)11(15)13-6-8(14)7-18-13/h2-5,8,14H,6-7H2,1H3
InChIKey
RWKNVCIZFHCRKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.78
TPSA
76.07

LogP / Solubility

WLOGP
0.22
MLOGP
0.2
XLogP3
0.4
Consensus LogP
0.27
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-4.1

Drug-likeness / Medicinal Chemistry

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

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