![CAS 1616435-00-7 (4aR,7aR)-octahydrocyclopenta[b][1,4]oxazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1616435-00-7.gif)
CAS RN: 1616435-00-7
(4aR,7aR)-octahydrocyclopenta[b][1,4]oxazine
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.20260110 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-069260
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1616435-00-7 / (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
Basic Information
CAS
1616435-00-7
Multi CAS
No
Molecular Formula
C7H13NO
Molecular Weight
127.180000
Exact Mass
127.099714
SMILES
C1C[C@@H]2[C@@H](C1)OCCN2
InChI
InChI=1S/C7H13NO/c1-2-6-7(3-1)9-5-4-8-6/h6-8H,1-5H2/t6-,7-/m1/s1
InChIKey
FVHPPCBSLJVBQR-RNFRBKRXSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.38
TPSA
21.26
LogP / Solubility
WLOGP
0.53
MLOGP
0.46
XLogP3
0.4
Consensus LogP
0.46
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very 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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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