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CAS 4132-86-9 N-Benzyloxycarbonyl-DL-alanine molecular structure lightbox
CAS RN: 4132-86-9

N-Benzyloxycarbonyl-DL-alanine

  • Product code: SSC-149778
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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: 5g, 10g, 25g, 100g
  • Available purity: >97%
  • 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 4132-86-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 2 In Stock Hong Kong Inquiry
10g >97% 2 In Stock Shanghai Inquiry
25g >97% 1 In Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

4132-86-9 / (2R)-2-(phenylmethoxycarbonylamino)propanoic acid

Standard CAS: 4132-86-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4132-86-9
Multi CAS
Yes
Molecular Formula
C11H13NO4
Molecular Weight
223.220000
Exact Mass
223.084458
InChI
InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKey
TYRGLVWXHJRKMT-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.86
TPSA
75.63

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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