CAS RN: 21368-39-8
dimethyl 5-(allyloxy)isophthalate
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.20250402 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS21368-39-8
- Purity/Analytical Methods: >99.0%
21368-39-8 / dimethyl 5-prop-2-enoxybenzene-1,3-dicarboxylate
Basic Information
CAS
21368-39-8
Multi CAS
No
Molecular Formula
C13H14O5
Molecular Weight
250.250000
Exact Mass
250.084124
SMILES
COC(=O)C1=CC(=CC(=C1)OCC=C)C(=O)OC
InChI
InChI=1S/C13H14O5/c1-4-5-18-11-7-9(12(14)16-2)6-10(8-11)13(15)17-3/h4,6-8H,1,5H2,2-3H3
InChIKey
RSLUFPUYQPGPNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
64.81
TPSA
61.83
LogP / Solubility
WLOGP
1.82
MLOGP
1.61
XLogP3
2.2
Consensus LogP
1.88
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.4
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
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-Mercapto-benzooxazole-4-carboxylic acid Methyl ester
- CAS RN: 213685-54-2
- Product Code: SSC-102028
-
-
N-HEXYLLITHIUM
- CAS RN: 21369-64-2
- Product Code: starshine_CAS21369-64-2
- Purity/Analytical method: >99.0%
-
-
5-[(3-MethoxyphenylaMino)Methylene]-2,2-diMethyl-1,3-dioxane-4,6-dione
- CAS RN: 213699-52-6
- Product Code: SSC-102034
-
2,4,5-TRIHYDROXY-DL-PHENYLALANINE
- CAS RN: 21373-30-8
- Product Code: starshine_CAS21373-30-8
- Purity/Analytical method: >99.0%
![CAS 213699-52-6 5-[(3-MethoxyphenylaMino)Methylene]-2,2-diMethyl-1,3-dioxane-4,6-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/213699-52-6.gif)
