CAS RN: 1120214-96-1
Methyl 2-bromo-5-propyl-1,3-thiazole-4-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260506 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1120214-96-1
- Purity/Analytical Methods: >99.0%
1120214-96-1 / methyl 2-bromo-5-propyl-1,3-thiazole-4-carboxylate
Methyl 2-bromo-5-propylthiazole-4-carboxylate | Methyl 2-bromo-5-propyl-1,3-thiazole-4-carboxylate | MFCD11706993
Basic Information
CAS
1120214-96-1
Multi CAS
No
Molecular Formula
C8H10BrNO2S
Molecular Weight
264.140000
Exact Mass
262.961560
SMILES
CCCC1=C(N=C(S1)Br)C(=O)OC
InChI
InChI=1S/C8H10BrNO2S/c1-3-4-5-6(7(11)12-2)10-8(9)13-5/h3-4H2,1-2H3
InChIKey
UTAVAGGVTNODOT-UHFFFAOYSA-N
Synonyms
Methyl 2-bromo-5-propylthiazole-4-carboxylate
Methyl 2-bromo-5-propyl-1,3-thiazole-4-carboxylate
MFCD11706993
2-Bromo-4-(methoxycarbonyl)-5-propyl-1,3-thiazole
Methyl2-bromo-5-propylthiazole-4-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
55.15
TPSA
39.19
LogP / Solubility
WLOGP
2.64
MLOGP
2.34
XLogP3
3.4
Consensus LogP
2.79
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly 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)
-2.45
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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