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: 4
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 1g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 1g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 5g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 5g | >97% | 0 Out of Stock | Beijing | Inquiry |
1219426-63-7 / 4-benzylmorpholine-3-carboxylic acid
Basic Information
CAS
1219426-63-7
Multi CAS
No
Molecular Formula
C12H15NO3
Molecular Weight
221.250000
Exact Mass
221.105193
SMILES
C1COCC(N1CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H15NO3/c14-12(15)11-9-16-7-6-13(11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)
InChIKey
XZVHBJHXLYHSNN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.09
TPSA
49.77
LogP / Solubility
WLOGP
0.97
MLOGP
0.86
XLogP3
-1.3
Consensus LogP
0.18
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
3-Methyl-1-p-tolyl-butylamine hydrochloride
- CAS RN: 1219455-77-2
- Product Code: starshine_CAS1219455-77-2
- Purity/Analytical method: >99.0%
-
1-desoxyMethylsphinganine (M17:0)
- CAS RN: 1219484-98-6
- Product Code: starshine_CAS1219484-98-6
- Purity/Analytical method: >99.0%
-
4,5,9,10-TetrabroMo-2,7-bis(2-octyldodecyl)benzo[lMn][3,8]phenanthroline-1,3,6,8-tetraone
- CAS RN: 1219501-17-3
- Product Code: starshine_CAS1219501-17-3
- Purity/Analytical method: >99.0%
-
6-(2-Fluoro-4-methoxyphenyl)pyridazin-3(2H)-one
- CAS RN: 1219566-14-9
- Product Code: SSC-024791
-
3-([1,2,4]Triazolo[4,3-b]pyridazin-6-ylthio)propanoic acid
- CAS RN: 1219567-80-2
- Product Code: SSC-024792
-
6-(4-Fluoro-2-methoxyphenyl)pyridazin-3(2H)-one
- CAS RN: 1219577-78-2
- Product Code: SSC-024793
![CAS 1219501-17-3 4,5,9,10-TetrabroMo-2,7-bis(2-octyldodecyl)benzo[lMn][3,8]phenanthroline-1,3,6,8-tetraone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1219501-17-3.gif)
![CAS 1219567-80-2 3-([1,2,4]Triazolo[4,3-b]pyridazin-6-ylthio)propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1219567-80-2.gif)
