![CAS 694439-04-8 (4aR,7aS)-hexahydro-2H-[1,4]dioxino[2,3-c]pyrrole hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/694439-04-8.gif)
CAS RN: 694439-04-8
(4aR,7aS)-hexahydro-2H-[1,4]dioxino[2,3-c]pyrrole hydrochloride
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-179133
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 | Beijing | Inquiry |
694439-04-8 / (4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-[1,4]dioxino[2,3-c]pyrrole;hydrochloride
Basic Information
CAS
694439-04-8
Multi CAS
Yes
Molecular Formula
C6H12CLNO2
Molecular Weight
165.620000
Exact Mass
165.055656
InChI
InChI=1S/C6H11NO2.ClH/c1-2-9-6-4-7-3-5(6)8-1;/h5-7H,1-4H2;1H/t5-,6+;
InChIKey
SNMOUDJYJUGNLH-KNCHESJLSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.6
TPSA
30.49
LogP / Solubility
WLOGP
-0.2
MLOGP
-0.18
XLogP3
-0.2
Consensus LogP
-0.19
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.57
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)
-3.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
4′-(4-BROMOBENZYLOXY)ACETOPHENONE
- CAS RN: 694443-80-6
- Product Code: starshine_CAS694443-80-6
- Purity/Analytical method: >99.0%
-
1-(4-BROMOPHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID
- CAS RN: 694465-29-7
- Product Code: SSC-179138
-
6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
- CAS RN: 694479-56-6
- Product Code: SSC-179139
-
-
-
![CAS 694479-56-6 6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/694479-56-6.gif)
