CAS RN: 904885-87-6
2-formylquinoline-6-carboxylic acid
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260517 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250210 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250317 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250312 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250923 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS904885-87-6
- Purity/Analytical Methods: >99.0%
904885-87-6 / 2-formylquinoline-6-carboxylic acid
Basic Information
CAS
904885-87-6
Multi CAS
No
Molecular Formula
C11H7NO3
Molecular Weight
201.180000
Exact Mass
201.042593
InChI
InChI=1S/C11H7NO3/c13-6-9-3-1-7-5-8(11(14)15)2-4-10(7)12-9/h1-6H,(H,14,15)
InChIKey
YFYWQGDKKGHVAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.09
TPSA
67.26
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
1.7
Consensus LogP
1.66
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 904886-12-0 Benzo[h]quinoline-2-carboxaldehyde molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
-
Valeriotetrate C
- CAS RN: 904891-20-9
- Product Code: starshine_CAS904891-20-9
- Purity/Analytical method: >99.0%
-
N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(2S)-2-pyrrolidinylMethyl]- Thiourea
- CAS RN: 904928-30-9
- Product Code: starshine_CAS904928-30-9
- Purity/Analytical method: >99.0%
-
-
TMCB
- CAS RN: 905105-89-7
- Product Code: starshine_CAS905105-89-7
- Purity/Analytical method: >99.0%
![CAS 904886-12-0 Benzo[h]quinoline-2-carboxaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/904886-12-0.gif)
![CAS 904928-30-9 N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(2S)-2-pyrrolidinylMethyl]- Thiourea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/904928-30-9.gif)
