CAS RN: 91715-56-9
Methyl 3-forMyl-2-Methoxybenzoate
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.20251027 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS91715-56-9
- Purity/Analytical Methods: >99.0%
91715-56-9 / methyl 2-hydroxy-3-(2-oxoethyl)benzoate
Basic Information
CAS
91715-56-9
Multi CAS
Yes
Molecular Formula
C10H10O4
Molecular Weight
194.180000
Exact Mass
194.057909
InChI
InChI=1S/C10H10O4/c1-14-10(13)8-4-2-3-7(5-6-11)9(8)12/h2-4,6,12H,5H2,1H3
InChIKey
DHBOYPJJPTYSLG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.21
TPSA
63.6
LogP / Solubility
WLOGP
0.92
MLOGP
0.81
XLogP3
1.4
Consensus LogP
1.04
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately 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)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
3-Hydroxy-1-propenyl-trimethylammonium chloride
- CAS RN: 91725-36-9
- Product Code: starshine_CAS91725-36-9
- Purity/Analytical method: >99.0%
-
HA-1004 HYDROCHLORIDE WEAK PROTEIN KINAS E I
- CAS RN: 91742-10-8
- Product Code: starshine_CAS91742-10-8
- Purity/Analytical method: >99.0%
