Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g, 0.1g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1221232-29-6 / 6-bromo-4-chloroisoquinoline
Basic Information
CAS
1221232-29-6
Multi CAS
No
Molecular Formula
C9H5BrClN
Molecular Weight
242.500000
Exact Mass
240.929390
SMILES
C1=CC2=CN=CC(=C2C=C1Br)Cl
InChI
InChI=1S/C9H5BrClN/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-5H
InChIKey
CDMLLPMNUHXCDB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
54.45
TPSA
12.89
LogP / Solubility
WLOGP
3.65
MLOGP
3.22
XLogP3
3.4
Consensus LogP
3.42
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly 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)
-1.61
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
-
6-Bromo-5-chloro-isoquinoline
- CAS RN: 1221232-30-9
- Product Code: starshine_CAS1221232-30-9
- Purity/Analytical method: >99.0%
-
Benzenamine,4-(9,9-dimethyl-9H-fluoren-2-yl)-
- CAS RN: 1221237-85-9
- Product Code: starshine_CAS1221237-85-9
- Purity/Analytical method: >99.0%
-
9-([1,1′-biphenyl]-3-yl)-3,6-dibromo-9H-carbazole
- CAS RN: 1221237-88-2
- Product Code: SSC-025059
-
4-BPBPC
- CAS RN: 1221238-03-4
- Product Code: starshine_CAS1221238-03-4
- Purity/Analytical method: >99.0%
-
2,3-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)inden-1-one
- CAS RN: 1221239-08-2
- Product Code: SSC-025061
-
2-Methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-2,3-dihydro-isoindol-1-one
- CAS RN: 1221239-09-3
- Product Code: SSC-025062
![CAS 1221237-88-2 9-([1,1′-biphenyl]-3-yl)-3,6-dibromo-9H-carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1221237-88-2.gif)
![CAS 1221239-09-3 2-Methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-2,3-dihydro-isoindol-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1221239-09-3.gif)