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CAS 788799-69-9 (S)-1,4-N-Diboc-2-piperazine-2-carboxylic acid molecular structure lightbox
CAS RN: 788799-69-9

(S)-1,4-N-Diboc-2-piperazine-2-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260524 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-188152
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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: ＞97%
  • 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 788799-69-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

788799-69-9 / 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

Standard CAS: 788799-69-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
788799-69-9
Multi CAS
Yes
Molecular Formula
C15H26N2O6
Molecular Weight
330.380000
Exact Mass
330.179087
InChI
InChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)16-7-8-17(10(9-16)11(18)19)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)/t10-/m0/s1
InChIKey
IIZGWFQKLVCLLA-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
82.17
TPSA
96.38

LogP / Solubility

WLOGP
1.93
MLOGP
1.71
XLogP3
1.4
Consensus LogP
1.68
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-3.37

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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