CAS RN: 2495-92-3
6-BENZYLOXY-5-METHOXYINDOLE-2-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.20260530 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2495-92-3
- Purity/Analytical Methods: >99.0%
2495-92-3 / 5-methoxy-6-phenylmethoxy-1H-indole-2-carboxylic acid
Basic Information
CAS
2495-92-3
Multi CAS
No
Molecular Formula
C17H15NO4
Molecular Weight
297.300000
Exact Mass
297.100108
SMILES
COC1=C(C=C2C(=C1)C=C(N2)C(=O)O)OCC3=CC=CC=C3
InChI
InChI=1S/C17H15NO4/c1-21-15-8-12-7-14(17(19)20)18-13(12)9-16(15)22-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20)
InChIKey
JMOOGCFXFNKYCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
82.58
TPSA
71.55
LogP / Solubility
WLOGP
3.45
MLOGP
3.05
XLogP3
3.3
Consensus LogP
3.27
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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