CAS RN: 39274-53-8
a-(Boc-amino)-3-hydroxybenzeneacetic 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.20260628 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS39274-53-8
- Purity/Analytical Methods: >99.0%
39274-53-8 / 2-(3-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Basic Information
CAS
39274-53-8
Multi CAS
No
Molecular Formula
C13H17NO5
Molecular Weight
267.280000
Exact Mass
267.110673
InChI
InChI=1S/C13H17NO5/c1-13(2,3)19-12(18)14-10(11(16)17)8-5-4-6-9(15)7-8/h4-7,10,15H,1-3H3,(H,14,18)(H,16,17)
InChIKey
OWZGHJNAVZKAIL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
67.85
TPSA
95.86
LogP / Solubility
WLOGP
2.04
MLOGP
1.81
XLogP3
1.9
Consensus LogP
1.92
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly 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)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
-
Dinocap
- CAS RN: 39300-45-3
- Product Code: starshine_CAS39300-45-3
- Purity/Analytical method: >99.0%
-
GALACTAN
- CAS RN: 39300-87-3
- Product Code: starshine_CAS39300-87-3
- Purity/Analytical method: >99.0%
-
-
-
NEUROTENSIN
- CAS RN: 39379-15-2
- Product Code: starshine_CAS39379-15-2
- Purity/Analytical method: >99.0%
