[email protected]
CAS 1211589-24-0 Methyl 4-amino-2-ethylbenzoate molecular structure lightbox
CAS RN: 1211589-24-0

Methyl 4-amino-2-ethylbenzoate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260218 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-022868
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: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 1211589-24-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Beijing Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1211589-24-0 / methyl 4-amino-2-ethylbenzoate

methyl 4-amino-2-ethylbenzoate | MFCD00229826 | methyl 4-amino-2-ethyl-benzoate

Standard CAS: 1211589-24-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211589-24-0
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
SMILES
CCC1=C(C=CC(=C1)N)C(=O)OC
InChI
InChI=1S/C10H13NO2/c1-3-7-6-8(11)4-5-9(7)10(12)13-2/h4-6H,3,11H2,1-2H3
InChIKey
GUDJDBHCUBLRBQ-UHFFFAOYSA-N
Synonyms
methyl 4-amino-2-ethylbenzoate MFCD00229826 methyl 4-amino-2-ethyl-benzoate methyl4-amino-2-ethylbenzoate SCHEMBL4036931

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.57
TPSA
52.32

LogP / Solubility

WLOGP
1.62
MLOGP
1.42
XLogP3
1.9
Consensus LogP
1.65
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us