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: 0.1g, 0.25g, 1g, 5g
- 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.
1823375-18-3 / 5-bromo-2,6-dichloropyridine-3-carbonitrile
Basic Information
CAS
1823375-18-3
Multi CAS
No
Molecular Formula
C6HBrCl2N2
Molecular Weight
251.890000
Exact Mass
249.870020
SMILES
C1=C(C(=NC(=C1Br)Cl)Cl)C#N
InChI
InChI=1S/C6HBrCl2N2/c7-4-1-3(2-10)5(8)11-6(4)9/h1H
InChIKey
FSLHBMXZVCGMSM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
46.67
TPSA
36.68
LogP / Solubility
WLOGP
3.02
MLOGP
2.67
XLogP3
3.2
Consensus LogP
2.96
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
methyl 6-chloro-5-fluoropyrazine-2-carboxylate
- CAS RN: 1823378-45-5
- Product Code: SSC-083671
-
2-Tetrahydro-2H-pyran-4-yl-1,3,4-oxadiazole
- CAS RN: 1823378-91-1
- Product Code: SSC-083673
-
6-Chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
- CAS RN: 1823379-92-5
- Product Code: SSC-083677
-
Methyl 3-Bromo-5-chlorobenzimidate hydrochloride
- CAS RN: 1823380-00-2
- Product Code: SSC-083678
-
7-Methyl-5-Azaspiro[3.4]Octane Hydrochloride(WXC00481)
- CAS RN: 1823381-46-9
- Product Code: starshine_CAS1823381-46-9
- Purity/Analytical method: >99.0%
-
Quinazoline, 2-bromo-5-chloro-
- CAS RN: 1823381-69-6
- Product Code: starshine_CAS1823381-69-6
- Purity/Analytical method: >99.0%
![CAS 1823379-92-5 6-Chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92744930.gif)
![CAS 1823381-46-9 7-Methyl-5-Azaspiro[3.4]Octane Hydrochloride(WXC00481) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823381-46-9.gif)
