![CAS 143540-56-1 8-BROMO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11(6H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/143540-56-1.gif)
CAS RN: 143540-56-1
8-BROMO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11(6H)-ONE
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS143540-56-1
- Purity/Analytical Methods: >99.0%
143540-56-1 / 13-bromo-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
Basic Information
CAS
143540-56-1
Multi CAS
No
Molecular Formula
C14H10BrNO
Molecular Weight
288.140000
Exact Mass
286.994580
SMILES
C1CC2=C(C=CC(=C2)Br)C(=O)C3=C1C=CC=N3
InChI
InChI=1S/C14H10BrNO/c15-11-5-6-12-10(8-11)4-3-9-2-1-7-16-13(9)14(12)17/h1-2,5-8H,3-4H2
InChIKey
ABQDSBOUVLUFNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
69.22
TPSA
29.96
LogP / Solubility
WLOGP
3.17
MLOGP
2.8
XLogP3
3.6
Consensus LogP
3.19
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 143540-95-8 5-O-TOLYLOXYMETHYL-4H-[1,2,4]TRIAZOLE-3-THIOL molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
5-O-TOLYLOXYMETHYL-4H-[1,2,4]TRIAZOLE-3-THIOL
- CAS RN: 143540-95-8
- Product Code: SSC-054959
-
sodium 8-amino-5-chloro-1-oxo-7-phenyl-2H-pyrido[3,4-d]pyridazin-4-olate
- CAS RN: 143556-24-5
- Product Code: starshine_CAS143556-24-5
- Purity/Analytical method: >99.0%
-
tert-butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
- CAS RN: 143557-91-9
- Product Code: SSC-054967
-
rocuronium
- CAS RN: 143558-00-3
- Product Code: starshine_CAS143558-00-3
- Purity/Analytical method: >99.0%
-
(2R,4R)-3-Benzyloxycarbonyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
- CAS RN: 143564-89-0
- Product Code: SSC-054968
-
![CAS 143540-95-8 5-O-TOLYLOXYMETHYL-4H-[1,2,4]TRIAZOLE-3-THIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2486864.gif)
![CAS 143556-24-5 sodium 8-amino-5-chloro-1-oxo-7-phenyl-2H-pyrido[3,4-d]pyridazin-4-olate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/143556-24-5.gif)
![CAS 143557-91-9 tert-butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/143557-91-9.gif)
