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CAS 30033-25-1 3-hydroxy-N-[(phenylmethoxy)carbonyl]- L-Tyrosine molecular structure lightbox
CAS RN: 30033-25-1

3-hydroxy-N-[(phenylmethoxy)carbonyl]- L-Tyrosine

  • Product code: SSC-133607
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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: 1g
  • 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 30033-25-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

30033-25-1 / 3-(3,4-dihydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid

Standard CAS: 30033-25-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30033-25-1
Multi CAS
Yes
Molecular Formula
C17H17NO6
Molecular Weight
331.320000
Exact Mass
331.105587
InChI
InChI=1S/C17H17NO6/c19-14-7-6-12(9-15(14)20)8-13(16(21)22)18-17(23)24-10-11-4-2-1-3-5-11/h1-7,9,13,19-20H,8,10H2,(H,18,23)(H,21,22)
InChIKey
MZWMAZXVUOCLHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
4
Molar refractivity
84.66
TPSA
116.09

LogP / Solubility

WLOGP
2.02
MLOGP
1.79
XLogP3
1.8
Consensus LogP
1.87
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

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

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