CAS RN: 34670-43-4
4-Azido-L-phenylalanine (hydrochloride)
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS34670-43-4
- Purity/Analytical Methods: >99.0%
34670-43-4 / 2-amino-3-(4-azidophenyl)propanoic acid;hydrochloride
Basic Information
CAS
34670-43-4
Multi CAS
Yes
Molecular Formula
C9H11CLN4O2
Molecular Weight
242.660000
Exact Mass
242.057053
InChI
InChI=1S/C9H10N4O2.ClH/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11;/h1-4,8H,5,10H2,(H,14,15);1H/t8-;/m0./s1
InChIKey
VXCXRGSRHCHMBK-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.81
TPSA
112.08
LogP / Solubility
WLOGP
2
MLOGP
1.77
XLogP3
2
Consensus LogP
1.92
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.38
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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