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CAS 31877-68-6 4H-CHROMENO[4,3-D][1,3]THIAZOL-2-AMINE molecular structure lightbox
CAS RN: 31877-68-6

4H-CHROMENO[4,3-D][1,3]THIAZOL-2-AMINE

  • Product code: SSC-137327
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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 31877-68-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

31877-68-6 / 4H-chromeno[4,3-d][1,3]thiazol-2-amine

Standard CAS: 31877-68-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31877-68-6
Multi CAS
No
Molecular Formula
C10H8N2OS
Molecular Weight
204.250000
Exact Mass
204.035734
InChI
InChI=1S/C10H8N2OS/c11-10-12-9-6-3-1-2-4-7(6)13-5-8(9)14-10/h1-4H,5H2,(H2,11,12)
InChIKey
NVHFPWSBQGIUJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.29
TPSA
48.14

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
1.8
Consensus LogP
2.03
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-2.34

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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