![CAS 948015-63-2 1H-Indole-4-carboxylic acid, 6-[[(1,1-diMethylethoxy)carbonyl]aMino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/948015-63-2.png)
CAS RN: 948015-63-2
1H-Indole-4-carboxylic acid, 6-[[(1,1-diMethylethoxy)carbonyl]aMino]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250811 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINH927376
948015-63-2 / 6-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indole-4-carboxylic acid
Basic Information
CAS
948015-63-2
Multi CAS
No
Molecular Formula
C14H16N2O4
Molecular Weight
276.290000
Exact Mass
276.111007
InChI
InChI=1S/C14H16N2O4/c1-14(2,3)20-13(19)16-8-6-10(12(17)18)9-4-5-15-11(9)7-8/h4-7,15H,1-3H3,(H,16,19)(H,17,18)
InChIKey
LXZJJEUIQUAFCF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
75.11
TPSA
91.42
LogP / Solubility
WLOGP
3.21
MLOGP
2.84
XLogP3
2.1
Consensus LogP
2.72
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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