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CAS 1820648-21-2 3-AMino-3-[2,4-bis(benzyloxy)phenyl]propanoic Acid molecular structure lightbox
CAS RN: 1820648-21-2

3-AMino-3-[2,4-bis(benzyloxy)phenyl]propanoic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-082857
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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, 0.1g, 0.25g
  • Available purity: >95%
  • 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 1820648-21-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry

1820648-21-2 / 3-amino-3-[2,4-bis(phenylmethoxy)phenyl]propanoic acid

Standard CAS: 1820648-21-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820648-21-2
Multi CAS
No
Molecular Formula
C23H23NO4
Molecular Weight
377.400000
Exact Mass
377.162708
SMILES
C1=CC=C(C=C1)COC2=CC(=C(C=C2)C(CC(=O)O)N)OCC3=CC=CC=C3
InChI
InChI=1S/C23H23NO4/c24-21(14-23(25)26)20-12-11-19(27-15-17-7-3-1-4-8-17)13-22(20)28-16-18-9-5-2-6-10-18/h1-13,21H,14-16,24H2,(H,25,26)
InChIKey
OBLUNQHIGARMGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
107.17
TPSA
81.78

LogP / Solubility

WLOGP
4.32
MLOGP
3.82
XLogP3
1
Consensus LogP
3.05
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.96

Drug-likeness / Medicinal Chemistry

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

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