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CAS 784177-26-0 4-(AMINOCARBONYL)BENZENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 784177-26-0

4-(AMINOCARBONYL)BENZENESULFONYL CHLORIDE

  • Product code: SSC-187835
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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 784177-26-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

784177-26-0 / 4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine

Standard CAS: 784177-26-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
784177-26-0
Multi CAS
Yes
Molecular Formula
C11H12N2OS
Molecular Weight
220.290000
Exact Mass
220.067034
InChI
InChI=1S/C11H12N2OS/c1-7-3-4-10(14-2)8(5-7)9-6-15-11(12)13-9/h3-6H,1-2H3,(H2,12,13)
InChIKey
UTMKXDHPVOTHOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.25
TPSA
48.14

LogP / Solubility

WLOGP
2.71
MLOGP
2.39
XLogP3
2.6
Consensus LogP
2.57
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

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

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