CAS RN: 45438-77-5
5-Chloromethylthiazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250909 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS45438-77-5
- Purity/Analytical Methods: >99.0%
45438-77-5 / 5-(chloromethyl)-1,3-thiazole
Basic Information
CAS
45438-77-5
Multi CAS
Yes
Molecular Formula
C4H4CLNS
Molecular Weight
133.600000
Exact Mass
132.975298
InChI
InChI=1S/C4H4ClNS/c5-1-4-2-6-3-7-4/h2-3H,1H2
InChIKey
UZAOOCPKYMGRHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
31.67
TPSA
12.89
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
1.4
Consensus LogP
1.64
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-2.2
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
