CAS RN: 35700-73-3
2,2,5-Trimethyl-2,3-dihydrobenzofuran-7-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250524 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS35700-73-3
- Purity/Analytical Methods: >99.0%
35700-73-3 / 2,2,5-trimethyl-3H-1-benzofuran-7-carboxylic acid
Basic Information
CAS
35700-73-3
Multi CAS
No
Molecular Formula
C12H14O3
Molecular Weight
206.240000
Exact Mass
206.094294
InChI
InChI=1S/C12H14O3/c1-7-4-8-6-12(2,3)15-10(8)9(5-7)11(13)14/h4-5H,6H2,1-3H3,(H,13,14)
InChIKey
IZWOJXGLGRGZNL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.55
TPSA
46.53
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
2.4
Consensus LogP
2.31
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
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)
-2.27
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
-
-
-
-
N-BENZYLISATOIC ANHYDRIDE
- CAS RN: 35710-05-5
- Product Code: starshine_CAS35710-05-5
- Purity/Analytical method: >99.0%
-
1-CYCLOHEXYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
- CAS RN: 35711-41-2
- Product Code: SSC-142755
-
2,5-DIMETHYL-1-PYRIDIN-3-YL-1H-PYRROLE-3-CARBALDEHYDE
- CAS RN: 35711-47-8
- Product Code: SSC-142756
