![CAS 956434-30-3 tert-butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/956434-30-3.gif)
CAS RN: 956434-30-3
tert-butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate
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.20250927 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS956434-30-3
- Purity/Analytical Methods: >99.0%
956434-30-3 / tert-butyl 8-chloro-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylate
Basic Information
CAS
956434-30-3
Multi CAS
No
Molecular Formula
C13H17CLN2O3
Molecular Weight
284.740000
Exact Mass
284.092770
InChI
InChI=1S/C13H17ClN2O3/c1-13(2,3)19-12(17)16-6-7-18-11-9(8-16)4-5-10(14)15-11/h4-5H,6-8H2,1-3H3
InChIKey
RZCINNFEMKYQKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
71.39
TPSA
51.66
LogP / Solubility
WLOGP
2.86
MLOGP
2.53
XLogP3
2.6
Consensus LogP
2.66
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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)
-2.42
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
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