[email protected]
CAS 3745-79-7 1,3-THIAZOLE-4-CARBONYL CHLORIDE molecular structure lightbox
CAS RN: 3745-79-7

1,3-THIAZOLE-4-CARBONYL CHLORIDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260701 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS3745-79-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

3745-79-7 / 1,3-thiazole-4-carbonyl chloride

Standard CAS: 3745-79-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3745-79-7
Multi CAS
No
Molecular Formula
C4H2CLNOS
Molecular Weight
147.580000
Exact Mass
146.954563
InChI
InChI=1S/C4H2ClNOS/c5-4(7)3-1-8-2-6-3/h1-2H
InChIKey
FTECMELMYALUQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
32.3
TPSA
29.96

LogP / Solubility

WLOGP
1.52
MLOGP
1.33
XLogP3
1.8
Consensus LogP
1.55
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us