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CAS 59969-65-2 (2S,3R)-3-(((Benzyloxy)carbonyl)amino)-2-hydroxy-4-phenylbutanoic acid molecular structure lightbox
CAS RN: 59969-65-2

(2S,3R)-3-(((Benzyloxy)carbonyl)amino)-2-hydroxy-4-phenylbutanoic acid

  • Product code: SSC-168542
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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: ≥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 59969-65-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

59969-65-2 / (2S,3R)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid

Standard CAS: 59969-65-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59969-65-2
Multi CAS
Yes
Molecular Formula
C18H19NO5
Molecular Weight
329.300000
Exact Mass
329.126323
InChI
InChI=1S/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m1/s1
InChIKey
JXJYTERRLRAUSF-CVEARBPZSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
87.34
TPSA
95.86

LogP / Solubility

WLOGP
1.97
MLOGP
1.75
XLogP3
2.4
Consensus LogP
2.04
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-3.33

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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