![CAS 1454601-12-7 IN1802, 4,7-Dibromo-[1,2,5]selenadiazolo[3,4-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454601-12-7.gif)
CAS RN: 1454601-12-7
IN1802, 4,7-Dibromo-[1,2,5]selenadiazolo[3,4-c]pyridine
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: starshine_CAS1454601-12-7
- Purity/Analytical Methods: >99.0%
1454601-12-7 / 4,7-dibromo-[1,2,5]selenadiazolo[3,4-c]pyridine
Basic Information
CAS
1454601-12-7
Multi CAS
No
Molecular Formula
C5HBr2N3Se
Molecular Weight
341.860000
Exact Mass
342.768190
SMILES
C1=C(C2=N[Se]N=C2C(=N1)Br)Br
InChI
InChI=1S/C5HBr2N3Se/c6-2-1-8-5(7)4-3(2)9-11-10-4/h1H
InChIKey
CWQAEGUCVZIIJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
49.67
TPSA
38.67
LogP / Solubility
WLOGP
1.61
MLOGP
1.43
XLogP3
1.61
Consensus LogP
1.55
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1454609-37-0 3-(5-Bromothiophen-2-yl)-2,5-bis(2-butyloctyl)-6-(thiophen-2-yl)pyrrol0[3,4-c]pyrrole-1,4(2H,5h)-dione molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-(5-Bromothiophen-2-yl)-2,5-bis(2-butyloctyl)-6-(thiophen-2-yl)pyrrol0[3,4-c]pyrrole-1,4(2H,5h)-dione
- CAS RN: 1454609-37-0
- Product Code: starshine_CAS1454609-37-0
- Purity/Analytical method: >99.0%
-
PU-H54
- CAS RN: 1454619-13-6
- Product Code: starshine_CAS1454619-13-6
- Purity/Analytical method: >99.0%
-
PU-WS13
- CAS RN: 1454619-14-7
- Product Code: starshine_CAS1454619-14-7
- Purity/Analytical method: >99.0%
-
(S)-2-(4-(2-amino-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)piperazin-1-yl)ethan-1-ol
- CAS RN: 1454651-63-8
- Product Code: starshine_CAS1454651-63-8
- Purity/Analytical method: >99.0%
-
5-Chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-ylaMine
- CAS RN: 1454653-85-0
- Product Code: SSC-056768
-
LY-3009120
- CAS RN: 1454682-72-4
- Product Code: starshine_CAS1454682-72-4
- Purity/Analytical method: >99.0%
![CAS 1454609-37-0 3-(5-Bromothiophen-2-yl)-2,5-bis(2-butyloctyl)-6-(thiophen-2-yl)pyrrol0[3,4-c]pyrrole-1,4(2H,5h)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454609-37-0.gif)
![CAS 1454651-63-8 (S)-2-(4-(2-amino-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)piperazin-1-yl)ethan-1-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454651-63-8.gif)
![CAS 1454653-85-0 5-Chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-ylaMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454653-85-0.gif)
