CAS RN: 6763-91-3
1-ethylazepane
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS6763-91-3
- Purity/Analytical Methods: >99.0%
6763-91-3 / 1-ethylazepane
Basic Information
CAS
6763-91-3
Multi CAS
No
Molecular Formula
C8H17N
Molecular Weight
127.230000
Exact Mass
127.136100
InChI
InChI=1S/C8H17N/c1-2-9-7-5-3-4-6-8-9/h2-8H2,1H3
InChIKey
RUOFIIKCANAEBW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
40.58
TPSA
3.24
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
1.8
Consensus LogP
1.78
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 6765-52-2 3-hydroxy-3-[2-(2-naphthyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-hydroxy-3-[2-(2-naphthyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
- CAS RN: 6765-52-2
- Product Code: starshine_CAS6765-52-2
- Purity/Analytical method: >99.0%
-
-
Diethyl 4-methoxybenzalmalonate
- CAS RN: 6768-23-6
- Product Code: starshine_CAS6768-23-6
- Purity/Analytical method: >99.0%
-
5-BROMO-6-CHLORO-3-INDOLYL PHOSPHATE P-TOLUIDINE SALT
- CAS RN: 6769-80-8
- Product Code: starshine_CAS6769-80-8
- Purity/Analytical method: >99.0%
-
-
![CAS 6765-52-2 3-hydroxy-3-[2-(2-naphthyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6765-52-2.gif)
