CAS RN: 2170273-17-1
Afatinib impurity 9
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.20250818 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2170273-17-1
- Purity/Analytical Methods: >99.0%
2170273-17-1 / (E)-N-[4-(3-chloro-4-fluoroanilino)-7-fluoroquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
Basic Information
CAS
2170273-17-1
Multi CAS
No
Molecular Formula
C20H18ClF2N5O
Molecular Weight
417.800000
Exact Mass
417.116794
SMILES
CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)F
InChI
InChI=1S/C20H18ClF2N5O/c1-28(2)7-3-4-19(29)27-18-9-13-17(10-16(18)23)24-11-25-20(13)26-12-5-6-15(22)14(21)8-12/h3-6,8-11H,7H2,1-2H3,(H,27,29)(H,24,25,26)/b4-3+
InChIKey
SNZIYDICMLMCLI-ONEGZZNKSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
110.51
TPSA
70.15
LogP / Solubility
WLOGP
4.36
MLOGP
3.86
XLogP3
3.7
Consensus LogP
3.97
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.72
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)
-2.17
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
2.5
Customers Also Viewed
-
![CAS 2170371-89-6 tert-butyl (3-cyanobicyclo[1.1.1]pentan-1-yl)carbamate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl (3-cyanobicyclo[1.1.1]pentan-1-yl)carbamate
- CAS RN: 2170371-89-6
- Product Code: SSC-104483
-
3-aminobicyclo[1.1.1]pentane-1-carbonitrile hydrochloride
- CAS RN: 2170371-90-9
- Product Code: SSC-104484
-
1-(iodomethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanol
- CAS RN: 2170372-21-9
- Product Code: SSC-104489
-
2-Oxabicyclo[2.1.1]hexane-1,4-dimethanol, 1-acetate
- CAS RN: 2170372-27-5
- Product Code: SSC-104491
-
benzyl N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamate
- CAS RN: 2170372-30-0
- Product Code: starshine_CAS2170372-30-0
- Purity/Analytical method: >99.0%
-
Glabralide B
- CAS RN: 2170388-84-6
- Product Code: starshine_CAS2170388-84-6
- Purity/Analytical method: >99.0%
![CAS 2170371-89-6 tert-butyl (3-cyanobicyclo[1.1.1]pentan-1-yl)carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170371-89-6.png)
![CAS 2170371-90-9 3-aminobicyclo[1.1.1]pentane-1-carbonitrile hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170371-90-9.png)
![CAS 2170372-21-9 1-(iodomethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170372-21-9.png)
![CAS 2170372-27-5 2-Oxabicyclo[2.1.1]hexane-1,4-dimethanol, 1-acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170372-27-5.png)
![CAS 2170372-30-0 benzyl N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170372-30-0.png)
