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CAS 261360-76-3 (R)-N-BOC-2-Bromophenylalanine molecular structure lightbox
CAS RN: 261360-76-3

(R)-N-BOC-2-Bromophenylalanine

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250616 1g Out of stock Inquiry
Batchno.20250813 5g Out of stock Inquiry
  • Product code: SSC-123093
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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: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 261360-76-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 3 In Stock Shanghai Inquiry
1g >97% 3 In Stock Beijing Inquiry
5g -- 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g -- 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g -- 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

261360-76-3 / (2S)-3-(2-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 261360-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
261360-76-3
Multi CAS
No
Molecular Formula
C14H18BrNO4
Molecular Weight
344.200000
Exact Mass
343.041920
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1Br)C(=O)O
InChI
InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKey
XDJSTMCSOXSTGZ-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
3
H-bond donors
2
Molar refractivity
78.64
TPSA
75.63

LogP / Solubility

WLOGP
2.97
MLOGP
2.63
XLogP3
3.2
Consensus LogP
2.93
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
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)
-2.71

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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