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CAS 34276-53-4 ETHYL 4-NITRO-L-PHENYLALANINE molecular structure lightbox
CAS RN: 34276-53-4

ETHYL 4-NITRO-L-PHENYLALANINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260402 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS34276-53-4
  • Purity/Analytical Methods: >99.0%
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34276-53-4 / ethyl 2-amino-3-(4-nitrophenyl)propanoate

Standard CAS: 34276-53-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34276-53-4
Multi CAS
Yes
Molecular Formula
C11H14N2O4
Molecular Weight
238.240000
Exact Mass
238.095357
InChI
InChI=1S/C11H14N2O4/c1-2-17-11(14)10(12)7-8-3-5-9(6-4-8)13(15)16/h3-6,10H,2,7,12H2,1H3/t10-/m0/s1
InChIKey
BNIKYBDDYIQCEB-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
61.41
TPSA
95.46

LogP / Solubility

WLOGP
1.03
MLOGP
0.91
XLogP3
1.7
Consensus LogP
1.21
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately 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)
-3.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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