[email protected]
CAS 1108683-66-4 Benzoic acid, 4-[(1R)-1-aminoethyl]- molecular structure lightbox
CAS RN: 1108683-66-4

Benzoic acid, 4-[(1R)-1-aminoethyl]-

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260426 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-011800
GET A QUOTE
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, 10g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1108683-66-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 1 In Stock Shanghai Inquiry
0.25g ≥98% 1 In Stock Beijing Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry

1108683-66-4 / 4-[(1R)-1-aminoethyl]benzoic acid

4-(1-Aminoethyl)benzoic acid | DTXSID80502855 | RefChem:286649

Standard CAS: 1108683-66-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1108683-66-4
Multi CAS
Yes
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
SMILES
C[C@H](C1=CC=C(C=C1)C(=O)O)N
InChI
InChI=1S/C9H11NO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6H,10H2,1H3,(H,11,12)/t6-/m1/s1
InChIKey
NDMBVGSUFFPAFE-ZCFIWIBFSA-N
Synonyms
4-(1-Aminoethyl)benzoic acid DTXSID80502855 RefChem:286649 DTXCID70453665 4-(1-Amino-ethyl)-benzoic acid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46
TPSA
63.32

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
-1.1
Consensus LogP
0.51
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
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)
-2.73

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us