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CAS 3412-49-5 (R)-4-PHENYLOXAZOLIDINE-2,5-DIONE molecular structure lightbox
CAS RN: 3412-49-5

(R)-4-PHENYLOXAZOLIDINE-2,5-DIONE

  • Product code: SSC-140355
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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: 0.25g, 1g, 5g, 10g
  • 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 3412-49-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

3412-49-5 / (4R)-4-phenyl-1,3-oxazolidine-2,5-dione

Standard CAS: 3412-49-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3412-49-5
Multi CAS
Yes
Molecular Formula
C9H7NO3
Molecular Weight
177.160000
Exact Mass
177.042593
InChI
InChI=1S/C9H7NO3/c11-8-7(10-9(12)13-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,12)/t7-/m1/s1
InChIKey
ZSEHBLBYCASPDO-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.81
TPSA
55.4

LogP / Solubility

WLOGP
0.99
MLOGP
0.87
XLogP3
1.2
Consensus LogP
1.02
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-3.09

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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