![CAS 1147112-78-4 rac-(4aR,7aS)-octahydrocyclopenta[b]morpholine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1147112-78-4.gif)
CAS RN: 1147112-78-4
rac-(4aR,7aS)-octahydrocyclopenta[b]morpholine hydrochloride
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.20260125 | 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-014439
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1147112-78-4 / (4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride
octahydrocyclopenta[b][1,4]oxazine hydrochloride | octahydrocyclopenta(b)(1,4)oxazine hydrochloride | RefChem:855865
Basic Information
CAS
1147112-78-4
Multi CAS
Yes
Molecular Formula
C7H14ClNO
Molecular Weight
163.640000
Exact Mass
163.076392
SMILES
C1C[C@H]2[C@@H](C1)OCCN2.Cl
InChI
InChI=1S/C7H13NO.ClH/c1-2-6-7(3-1)9-5-4-8-6;/h6-8H,1-5H2;1H/t6-,7+;/m0./s1
InChIKey
JWEHBYVWAVHAEP-UOERWJHTSA-N
Synonyms
octahydrocyclopenta[b][1,4]oxazine hydrochloride
octahydrocyclopenta(b)(1,4)oxazine hydrochloride
RefChem:855865
975-841-8
octahydrocyclopenta[b]morpholine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.63
TPSA
21.26
LogP / Solubility
WLOGP
0.95
MLOGP
0.83
XLogP3
0.95
Consensus LogP
0.91
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
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)
-3.04
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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