CAS RN: 885278-60-4
2-(3-BENZYLOXY-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- Product code: SSC-199400
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 |
885278-60-4 / ethyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
Basic Information
CAS
885278-60-4
Multi CAS
No
Molecular Formula
C19H17NO3S
Molecular Weight
339.400000
Exact Mass
339.092915
InChI
InChI=1S/C19H17NO3S/c1-2-22-19(21)17-13-24-18(20-17)15-9-6-10-16(11-15)23-12-14-7-4-3-5-8-14/h3-11,13H,2,12H2,1H3
InChIKey
SSXQYAVTKXTMJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
17
Fraction Csp3
0.16
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
94.28
TPSA
48.42
LogP / Solubility
WLOGP
4.57
MLOGP
4.03
XLogP3
4.6
Consensus LogP
4.4
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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