CAS RN: 103027-97-0
1H-INDOLE-2,6-DICARBOXYLIC 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.20250213 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS103027-97-0
- Purity/Analytical Methods: >99.0%
103027-97-0 / 1H-indole-2,6-dicarboxylic acid
1H-indole-2,6-dicarboxylic Acid | 1H-indole-2,6-dicarboxylicacid | Indole-2,6-dicarboxylic acid
Basic Information
CAS
103027-97-0
Multi CAS
Yes
Molecular Formula
C10H7NO4
Molecular Weight
205.170000
Exact Mass
205.037508
SMILES
C1=CC2=C(C=C1C(=O)O)NC(=C2)C(=O)O
InChI
InChI=1S/C10H7NO4/c12-9(13)6-2-1-5-3-8(10(14)15)11-7(5)4-6/h1-4,11H,(H,12,13)(H,14,15)
InChIKey
WXXRCNKKYCNYFF-UHFFFAOYSA-N
Synonyms
1H-indole-2,6-dicarboxylic Acid
1H-indole-2,6-dicarboxylicacid
Indole-2,6-dicarboxylic acid
MFCD03095180
SCHEMBL69851
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
52.22
TPSA
90.39
LogP / Solubility
WLOGP
1.56
MLOGP
1.38
XLogP3
1.8
Consensus LogP
1.58
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 103028-34-8
- Product Code: starshine_CAS103028-34-8
- Purity/Analytical method: >99.0%
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