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CAS 188660-14-2 D-THREONINE(BZL)-OBZL OXALATE (1:1) molecular structure lightbox
CAS RN: 188660-14-2

D-THREONINE(BZL)-OBZL OXALATE (1:1)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250430 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-087798
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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 188660-14-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

188660-14-2 / benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate;oxalic acid

Standard CAS: 188660-14-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188660-14-2
Multi CAS
No
Molecular Formula
C20H23NO7
Molecular Weight
389.400000
Exact Mass
389.147452
SMILES
C[C@@H]([C@H](C(=O)OCC1=CC=CC=C1)N)OCC2=CC=CC=C2.C(=O)(C(=O)O)O
InChI
InChI=1S/C18H21NO3.C2H2O4/c1-14(21-12-15-8-4-2-5-9-15)17(19)18(20)22-13-16-10-6-3-7-11-16;3-1(4)2(5)6/h2-11,14,17H,12-13,19H2,1H3;(H,3,4)(H,5,6)/t14-,17+;/m0./s1
InChIKey
IIAVXHHGVJCFKI-SQQLFYIASA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
100.18
TPSA
136.15

LogP / Solubility

WLOGP
1.82
MLOGP
1.62
XLogP3
1.82
Consensus LogP
1.75
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8

Drug-likeness / Medicinal Chemistry

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

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