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CAS 941292-79-1 Boc-(R)-2-aminomethy-pentanoic acid molecular structure lightbox
CAS RN: 941292-79-1

Boc-(R)-2-aminomethy-pentanoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250303 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-208682
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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 941292-79-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

941292-79-1 / 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid

Standard CAS: 941292-79-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
941292-79-1
Multi CAS
Yes
Molecular Formula
C11H21NO4
Molecular Weight
231.290000
Exact Mass
231.147058
InChI
InChI=1S/C11H21NO4/c1-5-6-8(9(13)14)7-12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKey
ZMTFJZAKAIBBQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.27
TPSA
75.63

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
1.6
Consensus LogP
1.79
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-2.7

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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