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CAS 183322-17-0 Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate hydrochloride molecular structure lightbox
CAS RN: 183322-17-0

Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250411 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-084824
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 183322-17-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

183322-17-0 / ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate;hydrochloride

Standard CAS: 183322-17-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
183322-17-0
Multi CAS
No
Molecular Formula
C15H24ClNO6
Molecular Weight
349.810000
Exact Mass
349.129215
SMILES
CCOC(=O)C1=CC(=C(C=C1N)OCCOC)OCCOC.Cl
InChI
InChI=1S/C15H23NO6.ClH/c1-4-20-15(17)11-9-13(21-7-5-18-2)14(10-12(11)16)22-8-6-19-3;/h9-10H,4-8,16H2,1-3H3;1H
InChIKey
CVAXGYHQKOQSDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
1
Molar refractivity
88.8
TPSA
89.24

LogP / Solubility

WLOGP
1.92
MLOGP
1.71
XLogP3
1.92
Consensus LogP
1.85
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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