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CAS 299932-63-1 5-(2,4-DIMETHOXYPHENYL)-1,3,4-THIADIAZOL-2-AMINE molecular structure lightbox
CAS RN: 299932-63-1

5-(2,4-DIMETHOXYPHENYL)-1,3,4-THIADIAZOL-2-AMINE

  • Product code: SSC-133511
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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: 5g
  • 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 299932-63-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

299932-63-1 / 5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine

Standard CAS: 299932-63-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
299932-63-1
Multi CAS
No
Molecular Formula
C10H11N3O2S
Molecular Weight
237.280000
Exact Mass
237.057198
InChI
InChI=1S/C10H11N3O2S/c1-14-6-3-4-7(8(5-6)15-2)9-12-13-10(11)16-9/h3-5H,1-2H3,(H2,11,13)
InChIKey
AAUWKUOASVXTPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
62.86
TPSA
70.26

LogP / Solubility

WLOGP
1.8
MLOGP
1.59
XLogP3
1.6
Consensus LogP
1.66
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-2.89

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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