CAS RN: 108605-70-5
AVENANTHRAMIDEA
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.20260326 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS108605-70-5
- Purity/Analytical Methods: >99.0%
108605-70-5 / 5-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
SCHEMBL5351229 | SCHEMBL29913807 | IEA60570
Basic Information
CAS
108605-70-5
Multi CAS
Yes
Molecular Formula
C16H13NO5
Molecular Weight
299.280000
Exact Mass
299.079373
SMILES
C1=CC(=CC=C1/C=C/C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O
InChI
InChI=1S/C16H13NO5/c18-11-4-1-10(2-5-11)3-8-15(20)17-14-7-6-12(19)9-13(14)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-3+
InChIKey
QGUMNWHANDITDB-FPYGCLRLSA-N
Synonyms
SCHEMBL5351229
SCHEMBL29913807
IEA60570
N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid
Physical Properties
Melting Point
277 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
80.84
TPSA
106.86
LogP / Solubility
WLOGP
2.45
MLOGP
2.17
XLogP3
2.6
Consensus LogP
2.41
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
Customers Also Viewed
-
-
2-STYRYL-4H-3,1-BENZOXAZIN-4-ONE
- CAS RN: 108608-01-1
- Product Code: starshine_CAS108608-01-1
- Purity/Analytical method: >99.0%
-
-
4-(ethoxycarbonyl)oxane-4-carboxylic acid
- CAS RN: 108630-68-8
- Product Code: starshine_CAS108630-68-8
- Purity/Analytical method: >99.0%
-
-
1-BENZYL 2-METHYL PYRROLIDINE-1,2-DICARBOXYLATE
- CAS RN: 108645-62-1
- Product Code: SSC-009958
![CAS 108640-12-6 3-METHYL-3-AZA-BICYCLO[3.2.1]OCT-8-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/108640-12-6.gif)
