![CAS 94718-66-8 9H-pyrido[2,3-b]indole-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/94718-66-8.gif)
CAS RN: 94718-66-8
9H-pyrido[2,3-b]indole-6-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.20260519 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-209875
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
94718-66-8 / 9H-pyrido[2,3-b]indole-6-carboxylic acid
Basic Information
CAS
94718-66-8
Multi CAS
No
Molecular Formula
C12H8N2O2
Molecular Weight
212.200000
Exact Mass
212.058578
InChI
InChI=1S/C12H8N2O2/c15-12(16)7-3-4-10-9(6-7)8-2-1-5-13-11(8)14-10/h1-6H,(H,13,14)(H,15,16)
InChIKey
NOPZGRYXKYSYBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
13
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.56
TPSA
65.98
LogP / Solubility
WLOGP
2.41
MLOGP
2.13
XLogP3
2.2
Consensus LogP
2.25
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(E)-4-(3-Hydroxy-1-propen-1-yl)phenyl Acetate
- CAS RN: 94723-93-0
- Product Code: SSC-209880
-
-
1-(4-METHYLPHENYL)BUTAN-2-ONE
- CAS RN: 94739-52-3
- Product Code: starshine_CAS94739-52-3
- Purity/Analytical method: >99.0%
-
-
-
4-Hydroxy-α1-[[[6-(2-phenylethoxy)hexyl]aMino]Methyl]-1,3-benzenediMethanol
- CAS RN: 94749-02-7
- Product Code: starshine_CAS94749-02-7
- Purity/Analytical method: >99.0%
![CAS 94749-02-7 4-Hydroxy-α1-[[[6-(2-phenylethoxy)hexyl]aMino]Methyl]-1,3-benzenediMethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/94749-02-7.gif)