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CAS 945651-03-6 (4S)-4-amino-5-(benzyloxy)-5-oxopentanoic acid hydrochloride molecular structure lightbox
CAS RN: 945651-03-6

(4S)-4-amino-5-(benzyloxy)-5-oxopentanoic acid hydrochloride

  • Product code: SSC-209633
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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: 5g
  • 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 945651-03-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

945651-03-6 / (4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid;hydrochloride

Standard CAS: 945651-03-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
945651-03-6
Multi CAS
Yes
Molecular Formula
C12H16CLNO4
Molecular Weight
273.710000
Exact Mass
273.076786
InChI
InChI=1S/C12H15NO4.ClH/c13-10(6-7-11(14)15)12(16)17-8-9-4-2-1-3-5-9;/h1-5,10H,6-8,13H2,(H,14,15);1H/t10-;/m0./s1
InChIKey
HFWSBJVZQUWUNZ-PPHPATTJSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.33
TPSA
89.62

LogP / Solubility

WLOGP
1.34
MLOGP
1.19
XLogP3
1.34
Consensus LogP
1.29
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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