CAS RN: 56776-32-0
6-chloro-N-ethyl-4-methyl-4-phenyl-4H-3,1-benzoxazin-2-amine monohydrochloride
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.20260120 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS56776-32-0
- Purity/Analytical Methods: >99.0%
56776-32-0 / 6-chloro-N-ethyl-4-methyl-4-phenyl-1H-3,1-benzoxazin-2-imine;hydrochloride
Basic Information
CAS
56776-32-0
Multi CAS
Yes
Molecular Formula
C17H18CL2N2O
Molecular Weight
337.200000
Exact Mass
336.079619
InChI
InChI=1S/C17H17ClN2O.ClH/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12;/h4-11H,3H2,1-2H3,(H,19,20);1H
InChIKey
SCBJXEBIMVRTJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
94.28
TPSA
33.62
LogP / Solubility
WLOGP
4.84
MLOGP
4.28
XLogP3
4.84
Consensus LogP
4.65
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
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
No
Log Kp (skin permeation)
-1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 56782-46-8 1,2-DI[TRANS-9-OCTADECENOYL]-SN-GLYCERO-3-PHOSPHOCHOLINE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1,2-DI[TRANS-9-OCTADECENOYL]-SN-GLYCERO-3-PHOSPHOCHOLINE
- CAS RN: 56782-46-8
- Product Code: starshine_CAS56782-46-8
- Purity/Analytical method: >99.0%
-
-
-
-
2H-Pyrido[4,3-d][1,3]oxazine-2,4(1H)-dione
- CAS RN: 56788-14-8
- Product Code: starshine_CAS56788-14-8
- Purity/Analytical method: >99.0%
-
(3,3-DIMETHYL-1-BUTYNE)DICOBALT HEXACARBONYL
- CAS RN: 56792-69-9
- Product Code: starshine_CAS56792-69-9
- Purity/Analytical method: >99.0%
![CAS 56782-46-8 1,2-DI[TRANS-9-OCTADECENOYL]-SN-GLYCERO-3-PHOSPHOCHOLINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56782-46-8.gif)
![CAS 56788-14-8 2H-Pyrido[4,3-d][1,3]oxazine-2,4(1H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56788-14-8.gif)
