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CAS 914349-71-6 Methyl N-Boc-2-amnio-5-bromothiazole-4-carboxylate molecular structure lightbox
CAS RN: 914349-71-6

Methyl N-Boc-2-amnio-5-bromothiazole-4-carboxylate

  • Product code: SSC-204559
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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: ≥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 914349-71-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

914349-71-6 / methyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylate

Standard CAS: 914349-71-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
914349-71-6
Multi CAS
Yes
Molecular Formula
BC10H13O4Rn2S
Molecular Weight
337.190000
Exact Mass
335.977940
InChI
InChI=1S/C10H13BrN2O4S/c1-10(2,3)17-9(15)13-8-12-5(6(11)18-8)7(14)16-4/h1-4H3,(H,12,13,15)
InChIKey
BUOGHUPVVLMNNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
71.01
TPSA
77.52

LogP / Solubility

WLOGP
3.04
MLOGP
2.69
XLogP3
3.1
Consensus LogP
2.94
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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