CAS RN: 5575-03-1
BOC-3-NITRO-L-TYROSINE
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 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5575-03-1
- Purity/Analytical Methods: >99.0%
5575-03-1 / 3-(4-hydroxy-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Basic Information
CAS
5575-03-1
Multi CAS
Yes
Molecular Formula
C14H18N2O7
Molecular Weight
326.300000
Exact Mass
326.111401
InChI
InChI=1S/C14H18N2O7/c1-14(2,3)23-13(20)15-9(12(18)19)6-8-4-5-11(17)10(7-8)16(21)22/h4-5,7,9,17H,6H2,1-3H3,(H,15,20)(H,18,19)/t9-/m0/s1
InChIKey
WKOHDYUJJUVBQB-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
79.26
TPSA
139
LogP / Solubility
WLOGP
1.82
MLOGP
1.62
XLogP3
2.5
Consensus LogP
1.98
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
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)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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