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CAS 24277-38-1 (S)-1-tert-Butyl 5-methyl 2-((tert-butoxycarbonyl)amino)pentanedioate molecular structure lightbox
CAS RN: 24277-38-1

(S)-1-tert-Butyl 5-methyl 2-((tert-butoxycarbonyl)amino)pentanedioate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250319 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-118428
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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: 10g
  • 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 24277-38-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

24277-38-1 / 1-O-tert-butyl 5-O-methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate

Standard CAS: 24277-38-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24277-38-1
Multi CAS
No
Molecular Formula
C15H27NO6
Molecular Weight
317.380000
Exact Mass
317.183838
SMILES
CC(C)(C)OC(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H27NO6/c1-14(2,3)21-12(18)10(8-9-11(17)20-7)16-13(19)22-15(4,5)6/h10H,8-9H2,1-7H3,(H,16,19)/t10-/m0/s1
InChIKey
IURKEBKDWQGPJJ-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
80.25
TPSA
90.93

LogP / Solubility

WLOGP
2.17
MLOGP
1.93
XLogP3
2
Consensus LogP
2.03
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly 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)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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