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CAS 17191-52-5 (S)-tert-butyl 5-amino-4-(benzyloxycarbonylamino)-5-oxopentanoate molecular structure lightbox
CAS RN: 17191-52-5

(S)-tert-butyl 5-amino-4-(benzyloxycarbonylamino)-5-oxopentanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251108 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-075647
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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: ≥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 17191-52-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

17191-52-5 / tert-butyl (4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate

Standard CAS: 17191-52-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17191-52-5
Multi CAS
No
Molecular Formula
C17H24N2O5
Molecular Weight
336.400000
Exact Mass
336.168522
SMILES
CC(C)(C)OC(=O)CC[C@@H](C(=O)N)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C17H24N2O5/c1-17(2,3)24-14(20)10-9-13(15(18)21)19-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,18,21)(H,19,22)/t13-/m0/s1
InChIKey
FVASJFMQBNYNSN-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
87.82
TPSA
107.72

LogP / Solubility

WLOGP
1.89
MLOGP
1.68
XLogP3
1.6
Consensus LogP
1.72
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly 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)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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