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 |
52328-48-0 / 4-tert-butyl-2-methoxybenzoic acid
Basic Information
CAS
52328-48-0
Multi CAS
Yes
Molecular Formula
C12H16O3
Molecular Weight
208.250000
Exact Mass
208.109944
InChI
InChI=1S/C12H16O3/c1-12(2,3)8-5-6-9(11(13)14)10(7-8)15-4/h5-7H,1-4H3,(H,13,14)
InChIKey
PUENGTBOCOAFKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.65
TPSA
46.53
LogP / Solubility
WLOGP
2.69
MLOGP
2.37
XLogP3
3.3
Consensus LogP
2.79
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
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
-
-
-
6α-chloro-5β-hydroxywithaferin A
- CAS RN: 52329-20-1
- Product Code: starshine_CAS52329-20-1
- Purity/Analytical method: >99.0%
-
-
3,11,17-Trihydroxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexen-9-one
- CAS RN: 52330-12-8
- Product Code: starshine_CAS52330-12-8
- Purity/Analytical method: >99.0%
-
7-Bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
- CAS RN: 52333-31-0
- Product Code: starshine_CAS52333-31-0
- Purity/Analytical method: >99.0%
![CAS 52330-12-8 3,11,17-Trihydroxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexen-9-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/52330-12-8.gif)
![CAS 52333-31-0 7-Bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/52333-31-0.gif)