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CAS 119434-75-2 BOC-L-4-THIAZOLYLALANINE molecular structure lightbox
CAS RN: 119434-75-2

BOC-L-4-THIAZOLYLALANINE

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260103 1g Out of stock Inquiry
Batchno.20260217 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251218 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-019965
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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: 5g
  • 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 119434-75-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

119434-75-2 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid

Boc-L-4-Thiazolylalanine | (S)-2-((tert-Butoxycarbonyl)amino)-3-(thiazol-4-yl)propanoic acid | Boc-3-(4-Thiazolyl)-L-alanine

Standard CAS: 119434-75-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119434-75-2
Multi CAS
Yes
Molecular Formula
C11H16N2O4S
Molecular Weight
272.320000
Exact Mass
272.083078
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CSC=N1)C(=O)O
InChI
InChI=1S/C11H16N2O4S/c1-11(2,3)17-10(16)13-8(9(14)15)4-7-5-18-6-12-7/h5-6,8H,4H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChIKey
RVXBTZJECMMZSB-QMMMGPOBSA-N
Synonyms
Boc-L-4-Thiazolylalanine (S)-2-((tert-Butoxycarbonyl)amino)-3-(thiazol-4-yl)propanoic acid Boc-3-(4-Thiazolyl)-L-alanine Boc-|A-(4-thiazolyl)-Ala-OH MFCD00079682

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
66.61
TPSA
88.52

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
1.6
Consensus LogP
1.58
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly 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)
-3.2

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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