CAS RN: 56672-56-1
2-Amino-3-(1,3-benzodioxol-5-yl)-3-hydroxypropionic 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.20251108 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS56672-56-1
- Purity/Analytical Methods: >99.0%
56672-56-1 / 2-amino-3-(1,3-benzodioxol-5-yl)-3-hydroxypropanoic acid
Basic Information
CAS
56672-56-1
Multi CAS
No
Molecular Formula
C10H11NO5
Molecular Weight
225.200000
Exact Mass
225.063722
InChI
InChI=1S/C10H11NO5/c11-8(10(13)14)9(12)5-1-2-6-7(3-5)16-4-15-6/h1-3,8-9,12H,4,11H2,(H,13,14)
InChIKey
QNECLCOECOXTEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
53.14
TPSA
102.01
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.12
XLogP3
-2.7
Consensus LogP
-0.99
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
-
-
-
Z-ASN-GLY-OH
- CAS RN: 56675-97-9
- Product Code: starshine_CAS56675-97-9
- Purity/Analytical method: >99.0%
