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CAS 144163-97-3 ((5-Thiazolyl)methyl)-(4-nitrophenyl)carbonate molecular structure lightbox
CAS RN: 144163-97-3

((5-Thiazolyl)methyl)-(4-nitrophenyl)carbonate

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 100g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250912 10g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250927 25g In stock Shanghai, Chengdu Inquiry
Batchno.20260214 500g Out of stock Inquiry
Batchno.20260627 5g In stock Shanghai Inquiry
  • Product code: SSC-055381
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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: 100g
  • 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 144163-97-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

144163-97-3 / (4-nitrophenyl) 1,3-thiazol-5-ylmethyl carbonate

Standard CAS: 144163-97-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
144163-97-3
Multi CAS
No
Molecular Formula
C11H8N2O5S
Molecular Weight
280.260000
Exact Mass
280.015393
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OCC2=CN=CS2
InChI
InChI=1S/C11H8N2O5S/c14-11(17-6-10-5-12-7-19-10)18-9-3-1-8(2-4-9)13(15)16/h1-5,7H,6H2
InChIKey
FTEKBGGQRNJIPQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
66.02
TPSA
91.56

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.5
Consensus LogP
2.57
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

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
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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