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CAS 348134-09-8 6-CHLORO-2-(1,4-DIAZEPAN-1-YL)-1,3-BENZOTHIAZOLE molecular structure lightbox
CAS RN: 348134-09-8

6-CHLORO-2-(1,4-DIAZEPAN-1-YL)-1,3-BENZOTHIAZOLE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260506 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS348134-09-8
  • Purity/Analytical Methods: >99.0%
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348134-09-8 / 6-chloro-2-(1,4-diazepan-1-yl)-1,3-benzothiazole

Standard CAS: 348134-09-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
348134-09-8
Multi CAS
No
Molecular Formula
C12H14CLN3S
Molecular Weight
267.780000
Exact Mass
267.059696
InChI
InChI=1S/C12H14ClN3S/c13-9-2-3-10-11(8-9)17-12(15-10)16-6-1-4-14-5-7-16/h2-3,8,14H,1,4-7H2
InChIKey
UZLJYDCBJULBQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.33
TPSA
28.16

LogP / Solubility

WLOGP
2.75
MLOGP
2.43
XLogP3
3.2
Consensus LogP
2.79
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

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

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