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CAS 201274-07-9 H-THR-OBZL OXALATE (1:1) molecular structure lightbox
CAS RN: 201274-07-9

H-THR-OBZL OXALATE (1:1)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260404 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-094948
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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: 25g
  • 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 201274-07-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

201274-07-9 / benzyl (2S,3R)-2-amino-3-hydroxybutanoate;oxalic acid

Standard CAS: 201274-07-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
201274-07-9
Multi CAS
No
Molecular Formula
C13H17NO7
Molecular Weight
299.280000
Exact Mass
299.100502
SMILES
C[C@H]([C@@H](C(=O)OCC1=CC=CC=C1)N)O.C(=O)(C(=O)O)O
InChI
InChI=1S/C11H15NO3.C2H2O4/c1-8(13)10(12)11(14)15-7-9-5-3-2-4-6-9;3-1(4)2(5)6/h2-6,8,10,13H,7,12H2,1H3;(H,3,4)(H,5,6)/t8-,10+;/m1./s1
InChIKey
SXBVEEGVIGATLZ-SCYNACPDSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
71.17
TPSA
147.15

LogP / Solubility

WLOGP
-0.41
MLOGP
-0.35
XLogP3
-0.41
Consensus LogP
-0.39
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-4.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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