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CAS 197632-85-2 N-ME-ASP(OTBU)-OH molecular structure lightbox
CAS RN: 197632-85-2

N-ME-ASP(OTBU)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260105 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-093185
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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 197632-85-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

197632-85-2 / (2S)-2-(methylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

Standard CAS: 197632-85-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
197632-85-2
Multi CAS
No
Molecular Formula
C9H17NO4
Molecular Weight
203.240000
Exact Mass
203.115758
SMILES
CC(C)(C)OC(=O)C[C@@H](C(=O)O)NC
InChI
InChI=1S/C9H17NO4/c1-9(2,3)14-7(11)5-6(10-4)8(12)13/h6,10H,5H2,1-4H3,(H,12,13)/t6-/m0/s1
InChIKey
VVZMENGKDSBXFM-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.95
TPSA
75.63

LogP / Solubility

WLOGP
0.39
MLOGP
0.34
XLogP3
-2
Consensus LogP
-0.42
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68

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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