CAS RN: 1443530-05-9
BAY-1163877
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250128 | 1mg / 5mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1443530-05-9
- Purity/Analytical Methods: >99.0%
1443530-05-9 / 4-[[4-amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]piperazin-2-one
Basic Information
CAS
1443530-05-9
Multi CAS
No
Molecular Formula
C23H26N6O3S
Molecular Weight
466.600000
Exact Mass
466.178710
SMILES
CC1=CC2=C(C(=C1)OC)SC(=C2)C3=C4C(=NC=NN4C(=C3COC)CN5CCNC(=O)C5)N
InChI
InChI=1S/C23H26N6O3S/c1-13-6-14-8-18(33-22(14)17(7-13)32-3)20-15(11-31-2)16(9-28-5-4-25-19(30)10-28)29-21(20)23(24)26-12-27-29/h6-8,12H,4-5,9-11H2,1-3H3,(H,25,30)(H2,24,26,27)
InChIKey
HNLRRJSKGXOYNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
2
Molar refractivity
128.51
TPSA
107.01
LogP / Solubility
WLOGP
2.59
MLOGP
2.31
XLogP3
1.7
Consensus LogP
2.2
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Customers Also Viewed
-
(2,2-diethoxyethyl)(2-methoxy-4-methylphenyl)sulfane
- CAS RN: 1443531-59-6
- Product Code: starshine_CAS1443531-59-6
- Purity/Analytical method: >99.0%
-
(7-Methoxy-5-Methylbenzo[b]thiophen-2-yl)boronic acid
- CAS RN: 1443531-60-9
- Product Code: SSC-055570
-
(2S)-2-(2,5-Difluorophenyl)-1-[(S)-(1,1-dimethylethyl)sulfinyl]pyrrolidine
- CAS RN: 1443538-32-6
- Product Code: starshine_CAS1443538-32-6
- Purity/Analytical method: >99.0%
-
(R)-2-(2-chloro-5-fluorophenyl)pyrrolidine hydrochloride
- CAS RN: 1443538-48-4
- Product Code: starshine_CAS1443538-48-4
- Purity/Analytical method: >99.0%
-
(R)-2-(3,5-DIFLUOROPHENYL)PYRROLIDINE HYDROCHLORIDE
- CAS RN: 1443538-50-8
- Product Code: starshine_CAS1443538-50-8
- Purity/Analytical method: >99.0%
-
![CAS 1443531-60-9 (7-Methoxy-5-Methylbenzo[b]thiophen-2-yl)boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1443531-60-9.gif)
![CAS 1443538-32-6 (2S)-2-(2,5-Difluorophenyl)-1-[(S)-(1,1-dimethylethyl)sulfinyl]pyrrolidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1443538-32-6.gif)
.gif)
