![CAS 1810070-23-5 2-Thiazolecarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]methylamino]-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1810070-23-5.gif)
CAS RN: 1810070-23-5
2-Thiazolecarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]methylamino]-, methyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260218 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1810070-23-5
- Purity/Analytical Methods: >99.0%
1810070-23-5 / methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-2-carboxylate
Basic Information
CAS
1810070-23-5
Multi CAS
No
Molecular Formula
C11H16N2O4S
Molecular Weight
272.320000
Exact Mass
272.083078
SMILES
CC(C)(C)OC(=O)N(C)C1=CN=C(S1)C(=O)OC
InChI
InChI=1S/C11H16N2O4S/c1-11(2,3)17-10(15)13(4)7-6-12-8(18-7)9(14)16-5/h6H,1-5H3
InChIKey
PLCZAJPVVKDLJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
68.09
TPSA
68.73
LogP / Solubility
WLOGP
2.3
MLOGP
2.03
XLogP3
2.2
Consensus LogP
2.18
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75
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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![CAS 1810070-30-4 Cis-cyclopropanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1810070-30-4.gif)
