![CAS 1415928-50-5 1H-Pyrrolo[2,3-b]pyridine, 4-bromo-3-iodo-1-(1-methylethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415928-50-5.gif)
CAS RN: 1415928-50-5
1H-Pyrrolo[2,3-b]pyridine, 4-bromo-3-iodo-1-(1-methylethyl)-
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.20260103 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1415928-50-5
- Purity/Analytical Methods: >99.0%
1415928-50-5 / 4-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine
Basic Information
CAS
1415928-50-5
Multi CAS
No
Molecular Formula
C10H10BrIN2
Molecular Weight
365.010000
Exact Mass
363.907210
SMILES
CC(C)N1C=C(C2=C(C=CN=C21)Br)I
InChI
InChI=1S/C10H10BrIN2/c1-6(2)14-5-8(12)9-7(11)3-4-13-10(9)14/h3-6H,1-2H3
InChIKey
BKNMFDIEMSHZAP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
70.54
TPSA
17.82
LogP / Solubility
WLOGP
3.98
MLOGP
3.53
XLogP3
3.3
Consensus LogP
3.6
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
1-(3-fluoro-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine
- CAS RN: 1415928-84-5
- Product Code: SSC-051958
-
2-amino-4-bromo-5-fluorobenzoicacidhydrochloride
- CAS RN: 1415929-02-0
- Product Code: SSC-051959
-
tert-butyl 4-sulfamoylpiperidine-1-carboxylate
- CAS RN: 1415929-10-0
- Product Code: SSC-051960
-
1,3-dibromo-5,7-bis(2-ethylhexyl)benzo[1,2-c:4,5-c’]dithiophene-4,8-dione
- CAS RN: 1415929-76-8
- Product Code: SSC-051961
-
1,3-bis(2-ethylhexyl)-5,7-di(thiophen-2-yl)-4H,8H-benzo[1,2-c:4,5-c ‘]dithiophene-4,8-dione
- CAS RN: 1415929-77-9
- Product Code: starshine_CAS1415929-77-9
- Purity/Analytical method: >99.0%
![CAS 1415929-76-8 1,3-dibromo-5,7-bis(2-ethylhexyl)benzo[1,2-c:4,5-c’]dithiophene-4,8-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415929-76-8.gif)
![CAS 1415929-77-9 1,3-bis(2-ethylhexyl)-5,7-di(thiophen-2-yl)-4H,8H-benzo[1,2-c:4,5-c ‘]dithiophene-4,8-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415929-77-9.gif)