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CAS 1820583-71-8 (s)-2-(cbz-amino)-3-(1-boc-piperidin-4-yl)propanoic acid molecular structure lightbox
CAS RN: 1820583-71-8

(s)-2-(cbz-amino)-3-(1-boc-piperidin-4-yl)propanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250705 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-082818
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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 1820583-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1820583-71-8 / (2S)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid

Standard CAS: 1820583-71-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820583-71-8
Multi CAS
No
Molecular Formula
C21H30N2O6
Molecular Weight
406.500000
Exact Mass
406.210387
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C21H30N2O6/c1-21(2,3)29-20(27)23-11-9-15(10-12-23)13-17(18(24)25)22-19(26)28-14-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,22,26)(H,24,25)/t17-/m0/s1
InChIKey
ZATSSEPWSKAQRB-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
106.33
TPSA
105.17

LogP / Solubility

WLOGP
3.4
MLOGP
3.02
XLogP3
3.1
Consensus LogP
3.17
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
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
Yes
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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