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CAS 385802-84-6 1,4-Piperazinedicarboxylic acid, 2-(hydroxymethyl)-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester, (2S)- molecular structure lightbox
CAS RN: 385802-84-6

1,4-Piperazinedicarboxylic acid, 2-(hydroxymethyl)-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester, (2S)-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260523 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-146216
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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 385802-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

385802-84-6 / 4-O-benzyl 1-O-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate

Standard CAS: 385802-84-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
385802-84-6
Multi CAS
Yes
Molecular Formula
C18H26N2O5
Molecular Weight
350.400000
Exact Mass
350.184172
InChI
InChI=1S/C18H26N2O5/c1-18(2,3)25-17(23)20-10-9-19(11-15(20)12-21)16(22)24-13-14-7-5-4-6-8-14/h4-8,15,21H,9-13H2,1-3H3/t15-/m0/s1
InChIKey
OKWDDQLIGHSFEA-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
92.01
TPSA
79.31

LogP / Solubility

WLOGP
2.24
MLOGP
1.99
XLogP3
1.7
Consensus LogP
1.98
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

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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