![CAS 1378892-59-1 [3-Methoxy-4-(oxan-4-yloxy)phenyl]methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1378892-59-1.gif)
CAS RN: 1378892-59-1
[3-Methoxy-4-(oxan-4-yloxy)phenyl]methanamine
- Product code: SSC-047631
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 | Hong Kong | Inquiry |
1378892-59-1 / [3-methoxy-4-(oxan-4-yloxy)phenyl]methanamine
Basic Information
CAS
1378892-59-1
Multi CAS
No
Molecular Formula
C13H19NO3
Molecular Weight
237.290000
Exact Mass
237.136493
SMILES
COC1=C(C=CC(=C1)CN)OC2CCOCC2
InChI
InChI=1S/C13H19NO3/c1-15-13-8-10(9-14)2-3-12(13)17-11-4-6-16-7-5-11/h2-3,8,11H,4-7,9,14H2,1H3
InChIKey
WGQQPXHAMWLVAG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.35
TPSA
53.71
LogP / Solubility
WLOGP
1.71
MLOGP
1.51
XLogP3
0.8
Consensus LogP
1.34
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1378942-33-6 4-Chlorobenzo[b]thiophene-2-carbonitrile molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-Chlorobenzo[b]thiophene-2-carbonitrile
- CAS RN: 1378942-33-6
- Product Code: starshine_CAS1378942-33-6
- Purity/Analytical method: >99.0%
-
7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
- CAS RN: 1378951-96-2
- Product Code: SSC-047641
-
N-acetyl-N-(2-(7-Methoxynaphthalen-1-yl)ethyl)acetaMide
- CAS RN: 1379005-34-1
- Product Code: starshine_CAS1379005-34-1
- Purity/Analytical method: >99.0%
-
-
-
![CAS 1378942-33-6 4-Chlorobenzo[b]thiophene-2-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1378942-33-6.gif)
![CAS 1378951-96-2 7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1378951-96-2.gif)
