CAS RN: 875237-46-0
5-Thiazolecarboxylic acid, 2,3-dihydro-4-methyl-2-oxo-
- Product code: SSC-197608
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
875237-46-0 / 4-methyl-2-oxo-3H-1,3-thiazole-5-carboxylic acid
Basic Information
CAS
875237-46-0
Multi CAS
Yes
Molecular Formula
C5H5NO3S
Molecular Weight
159.170000
Exact Mass
158.999014
InChI
InChI=1S/C5H5NO3S/c1-2-3(4(7)8)10-5(9)6-2/h1H3,(H,6,9)(H,7,8)
InChIKey
NVHAAIMFHOSMHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.64
TPSA
70.16
LogP / Solubility
WLOGP
0.44
MLOGP
0.38
XLogP3
0.4
Consensus LogP
0.41
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
Class (SILICOS-IT)
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)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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YIL 781
- CAS RN: 875258-85-8
- Product Code: starshine_CAS875258-85-8
- Purity/Analytical method: >99.0%
