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CAS 340732-79-8 N-Boc-O-2-propyn-1-yl-L-tyrosine molecular structure lightbox
CAS RN: 340732-79-8

N-Boc-O-2-propyn-1-yl-L-tyrosine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250719 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS340732-79-8
  • Purity/Analytical Methods: >99.0%
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340732-79-8 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-prop-2-ynoxyphenyl)propanoic acid

Standard CAS: 340732-79-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
340732-79-8
Multi CAS
Yes
Molecular Formula
C17H21NO5
Molecular Weight
319.400000
Exact Mass
319.141973
InChI
InChI=1S/C17H21NO5/c1-5-10-22-13-8-6-12(7-9-13)11-14(15(19)20)18-16(21)23-17(2,3)4/h1,6-9,14H,10-11H2,2-4H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKey
AYUJBJSCNWVBGS-AWEZNQCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.41
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
85.27
TPSA
84.86

LogP / Solubility

WLOGP
2.22
MLOGP
1.97
XLogP3
1.9
Consensus LogP
2.03
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly 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)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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