CAS RN: 284492-37-1
3-TERT-BUTOXYCARBONYLAMINO-3-(3,4-DIMETHOXY-PHENYL)-PROPIONIC ACID
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.20251127 | 100mg / 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS284492-37-1
- Purity/Analytical Methods: >99.0%
284492-37-1 / 3-(3,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Basic Information
CAS
284492-37-1
Multi CAS
Yes
Molecular Formula
C16H23NO6
Molecular Weight
325.360000
Exact Mass
325.152537
InChI
InChI=1S/C16H23NO6/c1-16(2,3)23-15(20)17-11(9-14(18)19)10-6-7-12(21-4)13(8-10)22-5/h6-8,11H,9H2,1-5H3,(H,17,20)(H,18,19)
InChIKey
NOEVPXYRCVCOIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
83.91
TPSA
94.09
LogP / Solubility
WLOGP
2.74
MLOGP
2.43
XLogP3
1.9
Consensus LogP
2.36
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 284493-57-8 3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-METHYLPHENYL)PROPANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/284493-57-8.png)
