![CAS 929974-11-8 (2E)-3-[3-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]PHENYL]ACRYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0836917.gif)
CAS RN: 929974-11-8
(2E)-3-[3-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]PHENYL]ACRYLIC ACID
- Product code: SSC-206945
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
929974-11-8 / (E)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoic acid
Basic Information
CAS
929974-11-8
Multi CAS
Yes
Molecular Formula
C14H13NO3S
Molecular Weight
275.320000
Exact Mass
275.061614
InChI
InChI=1S/C14H13NO3S/c1-10-15-12(9-19-10)8-18-13-4-2-3-11(7-13)5-6-14(16)17/h2-7,9H,8H2,1H3,(H,16,17)/b6-5+
InChIKey
SZCCAEUQQGNSKX-AATRIKPKSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.29
TPSA
59.42
LogP / Solubility
WLOGP
3.13
MLOGP
2.76
XLogP3
2.8
Consensus LogP
2.9
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-FLUORO-3-(PHENOXYMETHYL)-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
- CAS RN: 929974-17-4
- Product Code: SSC-206946
-
4,4,4-TRIFLUORO-3-HYDROXY-3-(5-METHYL-2-FURYL)BUTANOIC ACID
- CAS RN: 929974-43-6
- Product Code: SSC-206948
-
2-[[(2-METHYL-1,3-THIAZOL-4-YL)METHYL]THIO]BENZOIC ACID
- CAS RN: 929974-69-6
- Product Code: SSC-206949
-
2-AMINO-4,5-DIMETHYL-1-(2-PIPERAZIN-1-YLETHYL)-1H-PYRROLE-3-CARBONITRILE
- CAS RN: 929974-71-0
- Product Code: SSC-206950
-
4-(1H-INDOL-3-YL)-3,6-DIHYDROPYRIDINE-1(2H)-CARBOXAMIDE
- CAS RN: 929974-77-6
- Product Code: SSC-206951
-
1-[[(BENZYLAMINO)CARBONYL]AMINO]CYCLOPENTANECARBOXYLIC ACID
- CAS RN: 929974-95-8
- Product Code: SSC-206953
![CAS 929974-69-6 2-[[(2-METHYL-1,3-THIAZOL-4-YL)METHYL]THIO]BENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2841232.gif)
![CAS 929974-95-8 1-[[(BENZYLAMINO)CARBONYL]AMINO]CYCLOPENTANECARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2844112.gif)