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CAS 226067-37-4 Boc-N-Me-D-Thr(Bzl)-OH molecular structure lightbox
CAS RN: 226067-37-4

Boc-N-Me-D-Thr(Bzl)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260107 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-110456
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 226067-37-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

226067-37-4 / 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylmethoxybutanoic acid

Standard CAS: 226067-37-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
226067-37-4
Multi CAS
No
Molecular Formula
C17H25NO5
Molecular Weight
323.400000
Exact Mass
323.173273
SMILES
CC(C(C(=O)O)N(C)C(=O)OC(C)(C)C)OCC1=CC=CC=C1
InChI
InChI=1S/C17H25NO5/c1-12(22-11-13-9-7-6-8-10-13)14(15(19)20)18(5)16(21)23-17(2,3)4/h6-10,12,14H,11H2,1-5H3,(H,19,20)
InChIKey
DMYNYZJGZSJUGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
86.11
TPSA
76.07

LogP / Solubility

WLOGP
2.91
MLOGP
2.58
XLogP3
2.5
Consensus LogP
2.66
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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