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CAS 16597-50-5 N-Carbobenzoxy-L-threonine Benzyl Ester molecular structure lightbox
CAS RN: 16597-50-5

N-Carbobenzoxy-L-threonine Benzyl Ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250909 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-072476
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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: ≥98%
  • 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 16597-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

16597-50-5 / benzyl (2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoate

Standard CAS: 16597-50-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16597-50-5
Multi CAS
No
Molecular Formula
C19H21NO5
Molecular Weight
343.400000
Exact Mass
343.141973
SMILES
C[C@H]([C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C19H21NO5/c1-14(21)17(18(22)24-12-15-8-4-2-5-9-15)20-19(23)25-13-16-10-6-3-7-11-16/h2-11,14,17,21H,12-13H2,1H3,(H,20,23)/t14-,17+/m1/s1
InChIKey
VBKUVUJWFDXTMS-PBHICJAKSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
91.47
TPSA
84.86

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
2.6
Consensus LogP
2.38
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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