![CAS 886363-80-0 8-AMINO-1,2,3,5-TETRAHYDRO-BENZO[E][1,4]DIAZEPINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/886363-80-0.gif)
CAS RN: 886363-80-0
8-AMINO-1,2,3,5-TETRAHYDRO-BENZO[E][1,4]DIAZEPINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
- Product code: SSC-199824
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
886363-80-0 / tert-butyl 8-amino-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate
Basic Information
CAS
886363-80-0
Multi CAS
No
Molecular Formula
C14H21N3O2
Molecular Weight
263.340000
Exact Mass
263.163377
InChI
InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-7-6-16-12-8-11(15)5-4-10(12)9-17/h4-5,8,16H,6-7,9,15H2,1-3H3
InChIKey
ZULASIGKOAEFKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
75.99
TPSA
67.59
LogP / Solubility
WLOGP
2.43
MLOGP
2.15
XLogP3
1.7
Consensus LogP
2.09
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
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 886363-98-0 7-FLUORO-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
7-FLUORO-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID
- CAS RN: 886363-98-0
- Product Code: SSC-199825
-
1-[2-AMINO-1-(4-BROMO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLIC ACID
- CAS RN: 886363-99-1
- Product Code: starshine_CAS886363-99-1
- Purity/Analytical method: >99.0%
-
1-(2-AMINO-1-P-TOLYL-ETHYL)-PYRROLIDINE-3-CARBOXYLIC ACID
- CAS RN: 886364-05-2
- Product Code: starshine_CAS886364-05-2
- Purity/Analytical method: >99.0%
-
Ethyl 5-chloropyrazolo[1,5-a]pyridine-3-carboxylate
- CAS RN: 886364-13-2
- Product Code: SSC-199826
-
4-BOC-8-FLUORO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE
- CAS RN: 886364-28-9
- Product Code: SSC-199827
-
4-BOC-7-BROMO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE
- CAS RN: 886364-30-3
- Product Code: starshine_CAS886364-30-3
- Purity/Analytical method: >99.0%
![CAS 886363-98-0 7-FLUORO-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7816743.gif)
![CAS 886363-99-1 1-[2-AMINO-1-(4-BROMO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/886363-99-1.gif)
![CAS 886364-13-2 Ethyl 5-chloropyrazolo[1,5-a]pyridine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/886364-13-2.gif)
![CAS 886364-28-9 4-BOC-8-FLUORO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/886364-28-9.gif)
![CAS 886364-30-3 4-BOC-7-BROMO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/886364-30-3.gif)