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CAS 775315-17-8 N-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-N-(3,4-DIMETHYLPHENYL)ACETAMIDE molecular structure lightbox
CAS RN: 775315-17-8

N-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-N-(3,4-DIMETHYLPHENYL)ACETAMIDE

  • Product code: SSC-187096
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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: 0.25g
  • 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 775315-17-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

775315-17-8 / N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide

Standard CAS: 775315-17-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
775315-17-8
Multi CAS
No
Molecular Formula
C14H15CLN2OS
Molecular Weight
294.800000
Exact Mass
294.059362
InChI
InChI=1S/C14H15ClN2OS/c1-9-4-5-13(6-10(9)2)17(11(3)18)14-16-12(7-15)8-19-14/h4-6,8H,7H2,1-3H3
InChIKey
UXJNYQJFMFFDLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
80.41
TPSA
33.2

LogP / Solubility

WLOGP
4.18
MLOGP
3.69
XLogP3
3.4
Consensus LogP
3.76
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55

Drug-likeness / Medicinal Chemistry

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

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