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CAS 1860028-17-6 4-METHOXY-7-(MORPHOLIN-4-YL)-1,3-BENZOTHIAZOL-2-AMINE 2HBR molecular structure lightbox
CAS RN: 1860028-17-6

4-METHOXY-7-(MORPHOLIN-4-YL)-1,3-BENZOTHIAZOL-2-AMINE 2HBR

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250528 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-086162
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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 1860028-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1860028-17-6 / 4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-amine;dihydrobromide

Standard CAS: 1860028-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1860028-17-6
Multi CAS
No
Molecular Formula
C12H17Br2N3O2S
Molecular Weight
427.160000
Exact Mass
426.938770
SMILES
COC1=C2C(=C(C=C1)N3CCOCC3)SC(=N2)N.Br.Br
InChI
InChI=1S/C12H15N3O2S.2BrH/c1-16-9-3-2-8(15-4-6-17-7-5-15)11-10(9)14-12(13)18-11;;/h2-3H,4-7H2,1H3,(H2,13,14);2*1H
InChIKey
IPERMCRKZIFQGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
94.26
TPSA
60.61

LogP / Solubility

WLOGP
2.88
MLOGP
2.56
XLogP3
2.88
Consensus LogP
2.77
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.28

Drug-likeness / Medicinal Chemistry

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

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