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 |
874623-35-5 / 3-(1,3-thiazol-4-ylmethoxy)benzoic acid
Basic Information
CAS
874623-35-5
Multi CAS
No
Molecular Formula
C11H9NO3S
Molecular Weight
235.260000
Exact Mass
235.030314
InChI
InChI=1S/C11H9NO3S/c13-11(14)8-2-1-3-10(4-8)15-5-9-6-16-7-12-9/h1-4,6-7H,5H2,(H,13,14)
InChIKey
IMILYUBILRHRBV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.85
TPSA
59.42
LogP / Solubility
WLOGP
2.42
MLOGP
2.13
XLogP3
2
Consensus LogP
2.18
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly 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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
((2R,3R,4R)-3-(benzoyloxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl benzoate
- CAS RN: 874638-80-9
- Product Code: SSC-197456
-
(2R,3R,4R,5S)-5-(4-benzaMido-2-oxopyriMidin-1(2H)-yl)-2-((benzoyloxy)Methyl)-4-fluoro-4-Methyltetrahydrofuran-3-yl benzoate
- CAS RN: 874638-94-5
- Product Code: starshine_CAS874638-94-5
- Purity/Analytical method: >99.0%
-
Cytidine, N-benzoyl-2′-deoxy-2′-fluoro-2′-Methyl-, (2’R)- (9CI)
- CAS RN: 874638-98-9
- Product Code: starshine_CAS874638-98-9
- Purity/Analytical method: >99.0%
-
-
