CAS RN: 921209-92-9
butanoic acid,4-{(4-methoxyphenyl)methoxy}-3-oxo-,methyl este
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.20250411 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS921209-92-9
- Purity/Analytical Methods: >99.0%
921209-92-9 / methyl 4-[(4-methoxyphenyl)methoxy]-3-oxobutanoate
Basic Information
CAS
921209-92-9
Multi CAS
No
Molecular Formula
C13H16O5
Molecular Weight
252.260000
Exact Mass
252.099774
InChI
InChI=1S/C13H16O5/c1-16-12-5-3-10(4-6-12)8-18-9-11(14)7-13(15)17-2/h3-6H,7-9H2,1-2H3
InChIKey
PJDFBQWQRHRSCF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
64.29
TPSA
61.83
LogP / Solubility
WLOGP
1.34
MLOGP
1.19
XLogP3
1.3
Consensus LogP
1.28
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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)
-3.3
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
-
ent-16-Kaurene-3β,15β,18-triol
- CAS RN: 921211-29-2
- Product Code: starshine_CAS921211-29-2
- Purity/Analytical method: >99.0%
-
S-N,N-diMethyl-[1,1′-Binaphthalene]-2,2′-diaMine
- CAS RN: 921212-80-8
- Product Code: starshine_CAS921212-80-8
- Purity/Analytical method: >99.0%
-
-
tert-Butyl6-methoxy-7-nitro-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
- CAS RN: 921224-62-6
- Product Code: SSC-205702
-
-
2,2-Difluorocyclopentan-1-Amine Hydrochloride
- CAS RN: 921599-70-4
- Product Code: SSC-205723
![CAS 921212-80-8 S-N,N-diMethyl-[1,1′-Binaphthalene]-2,2′-diaMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/921212-80-8.gif)
