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CAS 20866-48-2 BOC-TYR(BOC)-OH molecular structure lightbox
CAS RN: 20866-48-2

BOC-TYR(BOC)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260617 1g / 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-098051
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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: 5g
  • Available purity: ＞97%
  • 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 20866-48-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

20866-48-2 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoic acid

Standard CAS: 20866-48-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20866-48-2
Multi CAS
No
Molecular Formula
C19H27NO7
Molecular Weight
381.400000
Exact Mass
381.178752
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C19H27NO7/c1-18(2,3)26-16(23)20-14(15(21)22)11-12-7-9-13(10-8-12)25-17(24)27-19(4,5)6/h7-10,14H,11H2,1-6H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKey
MRYIHKCPPKHOPJ-AWEZNQCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
97.8
TPSA
111.16

LogP / Solubility

WLOGP
3.52
MLOGP
3.12
XLogP3
3.7
Consensus LogP
3.45
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
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
Yes
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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