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CAS 40224-39-3 (S)-2-[(tert-Butoxycarbonyl)amino]-3-methylbutanoic acid chloromethyl ester molecular structure lightbox
CAS RN: 40224-39-3

(S)-2-[(tert-Butoxycarbonyl)amino]-3-methylbutanoic acid chloromethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250113 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-148294
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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: ≥95%
  • 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 40224-39-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

40224-39-3 / chloromethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Standard CAS: 40224-39-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40224-39-3
Multi CAS
Yes
Molecular Formula
C11H20CLNO4
Molecular Weight
265.730000
Exact Mass
265.108086
InChI
InChI=1S/C11H20ClNO4/c1-7(2)8(9(14)16-6-12)13-10(15)17-11(3,4)5/h7-8H,6H2,1-5H3,(H,13,15)/t8-/m0/s1
InChIKey
NHUFQUUQDKNIOP-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.81
TPSA
64.63

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2.9
Consensus LogP
2.4
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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