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CAS 13386-49-7 4-(CHLOROMETHYL)-2-(2-FURYL)-1,3-THIAZOLE molecular structure lightbox
CAS RN: 13386-49-7

4-(CHLOROMETHYL)-2-(2-FURYL)-1,3-THIAZOLE

  • Product code: SSC-040894
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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 13386-49-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

13386-49-7 / 4-(chloromethyl)-2-(furan-2-yl)-1,3-thiazole

Standard CAS: 13386-49-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13386-49-7
Multi CAS
No
Molecular Formula
C8H6ClNOS
Molecular Weight
199.660000
Exact Mass
198.985863
SMILES
C1=COC(=C1)C2=NC(=CS2)CCl
InChI
InChI=1S/C8H6ClNOS/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4H2
InChIKey
GGBVJLIWOXIYQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
49.37
TPSA
26.03

LogP / Solubility

WLOGP
3.14
MLOGP
2.76
XLogP3
2.1
Consensus LogP
2.67
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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