![CAS 3455-14-9 Dibenz[b,f][1,4]oxazepine, 2,11-dichloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/3455-14-9.gif)
CAS RN: 3455-14-9
Dibenz[b,f][1,4]oxazepine, 2,11-dichloro-
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.20260606 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3455-14-9
- Purity/Analytical Methods: >99.0%
3455-14-9 / 6,8-dichlorobenzo[b][1,4]benzoxazepine
Basic Information
CAS
3455-14-9
Multi CAS
No
Molecular Formula
C13H7CL2NO
Molecular Weight
264.100000
Exact Mass
262.990469
InChI
InChI=1S/C13H7Cl2NO/c14-8-5-6-11-9(7-8)13(15)16-10-3-1-2-4-12(10)17-11/h1-7H
InChIKey
REOFTPBYJKJOPQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
70.02
TPSA
21.59
LogP / Solubility
WLOGP
4.76
MLOGP
4.2
XLogP3
4.3
Consensus LogP
4.42
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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