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CAS 1137013-14-9 O-(3-Pyridyl)-L-tyrosine Methyl Ester molecular structure lightbox
CAS RN: 1137013-14-9

O-(3-Pyridyl)-L-tyrosine Methyl Ester

  • Product code: SSC-013717
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1137013-14-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

1137013-14-9 / methyl (2S)-2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate

METHYL 2-AMINO-3-(4-(PYRIDIN-3-YLOXY)PHENYL)PROPANOATE | methyl (2S)-2-amino-3-[4-(pyridin-3-yloxy)phenyl]propanoate | AB23842

Standard CAS: 1137013-14-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1137013-14-9
Multi CAS
Yes
Molecular Formula
C15H16N2O3
Molecular Weight
272.300000
Exact Mass
272.116092
SMILES
COC(=O)[C@H](CC1=CC=C(C=C1)OC2=CN=CC=C2)N
InChI
InChI=1S/C15H16N2O3/c1-19-15(18)14(16)9-11-4-6-12(7-5-11)20-13-3-2-8-17-10-13/h2-8,10,14H,9,16H2,1H3/t14-/m0/s1
InChIKey
KCDFQZJZENUBND-AWEZNQCLSA-N
Synonyms
METHYL 2-AMINO-3-(4-(PYRIDIN-3-YLOXY)PHENYL)PROPANOATE methyl (2S)-2-amino-3-[4-(pyridin-3-yloxy)phenyl]propanoate AB23842 methyl 2-amino-3-[4-(3-pyridyloxy)phenyl]propanoate

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.45
TPSA
74.44

LogP / Solubility

WLOGP
1.92
MLOGP
1.7
XLogP3
1.7
Consensus LogP
1.77
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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