CAS RN: 1416352-00-5
1-(3-Chlorobenzyl)-1,2,3,4-tetrahydroquinoxaline dihydrochloride
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.20260303 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1416352-00-5
- Purity/Analytical Methods: >99.0%
1416352-00-5 / 4-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-quinoxaline;dihydrochloride
Basic Information
CAS
1416352-00-5
Multi CAS
No
Molecular Formula
C15H17Cl3N2
Molecular Weight
331.700000
Exact Mass
330.045732
SMILES
C1CN(C2=CC=CC=C2N1)CC3=CC(=CC=C3)Cl.Cl.Cl
InChI
InChI=1S/C15H15ClN2.2ClH/c16-13-5-3-4-12(10-13)11-18-9-8-17-14-6-1-2-7-15(14)18;;/h1-7,10,17H,8-9,11H2;2*1H
InChIKey
OLUVCWWYSCGMKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
91.93
TPSA
15.27
LogP / Solubility
WLOGP
4.62
MLOGP
4.08
XLogP3
4.62
Consensus LogP
4.44
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1,2,3,4-Tetrahydro-2,6-naphthyridine hydrochloride
- CAS RN: 1416352-01-6
- Product Code: starshine_CAS1416352-01-6
- Purity/Analytical method: >99.0%
-
4-(DibenzylaMino)cyclohexanone hydrochloride
- CAS RN: 1416352-02-7
- Product Code: starshine_CAS1416352-02-7
- Purity/Analytical method: >99.0%
-
2-METHOXY-4-(4-TRIFLUOROMETHYL-PIPERIDIN-1-YL)-ANILINE
- CAS RN: 1416352-07-2
- Product Code: SSC-052055
-
-
-
5-Iodo-7H-pyrrolo[2,3-d]pyriMidin-2-aMine
- CAS RN: 1416354-36-3
- Product Code: starshine_CAS1416354-36-3
- Purity/Analytical method: >99.0%
.gif)
.gif)
.gif)
.gif)
![CAS 1416354-36-3 5-Iodo-7H-pyrrolo[2,3-d]pyriMidin-2-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1416354-36-3.gif)