CAS RN: 66737-54-0
3-NITRO-L-TYROSINE ETHYL ESTER HYDROCHLORIDE
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.20260608 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS66737-54-0
- Purity/Analytical Methods: >99.0%
66737-54-0 / ethyl (2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate;hydrochloride
Basic Information
CAS
66737-54-0
Multi CAS
Yes
Molecular Formula
C11H15CLN2O5
Molecular Weight
290.700000
Exact Mass
290.066949
InChI
InChI=1S/C11H14N2O5.ClH/c1-2-18-11(15)8(12)5-7-3-4-10(14)9(6-7)13(16)17;/h3-4,6,8,14H,2,5,12H2,1H3;1H/t8-;/m0./s1
InChIKey
GITKQXFBNJTMRP-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
70.32
TPSA
115.69
LogP / Solubility
WLOGP
1.16
MLOGP
1.03
XLogP3
1.16
Consensus LogP
1.12
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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)
-3.67
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
2
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