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CAS 23632-66-8 (S)-(+)-3-(BENZYLOXYCARBONYL)-5-OXO-4-OXAZOLIDINEACETIC ACID molecular structure lightbox
CAS RN: 23632-66-8

(S)-(+)-3-(BENZYLOXYCARBONYL)-5-OXO-4-OXAZOLIDINEACETIC ACID

  • Product code: SSC-115037
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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 23632-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

23632-66-8 / 2-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]acetic acid

Standard CAS: 23632-66-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23632-66-8
Multi CAS
No
Molecular Formula
C13H13NO6
Molecular Weight
279.240000
Exact Mass
279.074287
SMILES
C1N([C@@H](C(=O)O1)CC(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H13NO6/c15-11(16)6-10-12(17)20-8-14(10)13(18)19-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/t10-/m1/s1
InChIKey
XGNNOKSIFRVHHA-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.47
TPSA
93.14

LogP / Solubility

WLOGP
0.98
MLOGP
0.87
XLogP3
0.9
Consensus LogP
0.92
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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