CAS RN: 1982372-88-2
A-196
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock3 grade groups
- Product code: starshine_CAS1982372-88-2
- Purity/Analytical Methods: >99.0%
1982372-88-2 / 6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine
Basic Information
CAS
1982372-88-2
Multi CAS
No
Molecular Formula
C18H16Cl2N4
Molecular Weight
359.200000
Exact Mass
358.075202
SMILES
C1CCC(C1)NC2=NN=C(C3=CC(=C(C=C32)Cl)Cl)C4=CC=NC=C4
InChI
InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)
InChIKey
ABGOSOMRWSYAOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.28
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
98.67
TPSA
50.7
LogP / Solubility
WLOGP
5.35
MLOGP
4.73
XLogP3
4.5
Consensus LogP
4.86
Log S (ESOL)
-5.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.8
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
Customers Also Viewed
-
3-Isopropyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- CAS RN: 1983152-92-6
- Product Code: SSC-093448
-
1H-Pyrazole, 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- CAS RN: 1983152-93-7
- Product Code: SSC-093449
-
1H-Pyrazole, 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- CAS RN: 1983153-03-2
- Product Code: SSC-093450
-
ethyl 6-azaspiro[2.5]octane-1-carboxylate hydrochloride
- CAS RN: 1983157-41-0
- Product Code: starshine_CAS1983157-41-0
- Purity/Analytical method: >99.0%
-
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6R)-
- CAS RN: 1983196-25-3
- Product Code: starshine_CAS1983196-25-3
- Purity/Analytical method: >99.0%
-
1-Cyclopropylmethyl-1H-pyrazole-4-boronic acid
- CAS RN: 1983202-21-6
- Product Code: SSC-093456
![CAS 1983157-41-0 ethyl 6-azaspiro[2.5]octane-1-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1983157-41-0.gif)
![CAS 1983196-25-3 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1983196-25-3.gif)
