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CAS 500788-89-6 BOC-(R)-3-AMINO-3-(3-HYDROXY-PHENYL)-PROPIONIC ACID molecular structure lightbox
CAS RN: 500788-89-6

BOC-(R)-3-AMINO-3-(3-HYDROXY-PHENYL)-PROPIONIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260409 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-156433
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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 500788-89-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

500788-89-6 / (3R)-3-(3-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 500788-89-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
500788-89-6
Multi CAS
Yes
Molecular Formula
C14H19NO5
Molecular Weight
281.300000
Exact Mass
281.126323
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(8-12(17)18)9-5-4-6-10(16)7-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m1/s1
InChIKey
KLIMLFKCLBBZKH-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
72.47
TPSA
95.86

LogP / Solubility

WLOGP
2.43
MLOGP
2.15
XLogP3
1.6
Consensus LogP
2.06
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

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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