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CAS 72449-42-4 (S)-2-((TERT-BUTOXYCARBONYL)AMINO)-5-(DIMETHYLAMINO)-5-OXOPENTANOIC ACID molecular structure lightbox
CAS RN: 72449-42-4

(S)-2-((TERT-BUTOXYCARBONYL)AMINO)-5-(DIMETHYLAMINO)-5-OXOPENTANOIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260609 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-181947
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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 72449-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

72449-42-4 / (2S)-5-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

Standard CAS: 72449-42-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72449-42-4
Multi CAS
Yes
Molecular Formula
C12H22N2O5
Molecular Weight
274.310000
Exact Mass
274.152872
InChI
InChI=1S/C12H22N2O5/c1-12(2,3)19-11(18)13-8(10(16)17)6-7-9(15)14(4)5/h8H,6-7H2,1-5H3,(H,13,18)(H,16,17)/t8-/m0/s1
InChIKey
MZRAADPAONILMH-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.72
TPSA
95.94

LogP / Solubility

WLOGP
0.83
MLOGP
0.74
XLogP3
0.3
Consensus LogP
0.62
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately 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)
-3.8

Drug-likeness / Medicinal Chemistry

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

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