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CAS 363191-25-7 3-[[(1,1-Dimethylethoxy)carbonyl]amino]-D-alanine methyl ester molecular structure lightbox
CAS RN: 363191-25-7

3-[[(1,1-Dimethylethoxy)carbonyl]amino]-D-alanine methyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251002 50mg / 250mg / 1g / 5g / 10g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-143523
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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: ＞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 363191-25-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

363191-25-7 / methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Standard CAS: 363191-25-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
363191-25-7
Multi CAS
Yes
Molecular Formula
C9H18N2O4
Molecular Weight
218.250000
Exact Mass
218.126657
InChI
InChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)11-5-6(10)7(12)14-4/h6H,5,10H2,1-4H3,(H,11,13)/t6-/m1/s1
InChIKey
AXLHVTKGDPVANO-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
54.23
TPSA
90.65

LogP / Solubility

WLOGP
0.01
MLOGP
0.01
XLogP3
-0.1
Consensus LogP
-0.03
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.04

Drug-likeness / Medicinal Chemistry

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

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