CAS RN: 1929361-06-7
3-Quinolinecarboxylic acid, 4,6-dichloro-8-iodo-,ethyl ester
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.20251025 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1929361-06-7
- Purity/Analytical Methods: >99.0%
1929361-06-7 / ethyl 4,6-dichloro-8-iodoquinoline-3-carboxylate
Basic Information
CAS
1929361-06-7
Multi CAS
No
Molecular Formula
C12H8Cl2INO2
Molecular Weight
396.000000
Exact Mass
394.897680
SMILES
CCOC(=O)C1=CN=C2C(=CC(=CC2=C1Cl)Cl)I
InChI
InChI=1S/C12H8Cl2INO2/c1-2-18-12(17)8-5-16-11-7(10(8)14)3-6(13)4-9(11)15/h3-5H,2H2,1H3
InChIKey
OTXBJYPRUPEUEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
80.44
TPSA
39.19
LogP / Solubility
WLOGP
4.32
MLOGP
3.83
XLogP3
4.3
Consensus LogP
4.15
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.07
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
-
TAK-041
- CAS RN: 1929519-13-0
- Product Code: starshine_CAS1929519-13-0
- Purity/Analytical method: >99.0%
-
-
4-Bromo-6-fluoro-1,3-benzoxazole
- CAS RN: 1929606-78-9
- Product Code: starshine_CAS1929606-78-9
- Purity/Analytical method: >99.0%
-
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-ethoxypropanoic acid
- CAS RN: 1931107-98-0
- Product Code: SSC-090291
-
(2R,4S)-5-(4-BROMOPHENYL)-4-(BOC-AMINO)-2-METHYLPENTANOIC ACID
- CAS RN: 1931129-44-0
- Product Code: SSC-090292
-
[1,1′:3′,1”:3”,1”’-Quaterphenyl]-4,4”’-dicarboxylic acid, 5′,5”-bis(4-carboxyphenyl)-4”,6′-dimethoxy-
- CAS RN: 1931172-14-3
- Product Code: starshine_CAS1931172-14-3
- Purity/Analytical method: >99.0%
![CAS 1931172-14-3 [1,1′:3′,1”:3”,1”’-Quaterphenyl]-4,4”’-dicarboxylic acid, 5′,5”-bis(4-carboxyphenyl)-4”,6′-dimethoxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1931172-14-3.gif)