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CAS 90796-69-3 3-(3-DIMETHYLAMINO-PROPYLAMINO)-PROPIONIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 90796-69-3

3-(3-DIMETHYLAMINO-PROPYLAMINO)-PROPIONIC ACID METHYL ESTER

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251218 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-203433
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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: 5g
  • 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 90796-69-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

90796-69-3 / methyl 3-[3-(dimethylamino)propylamino]propanoate

Standard CAS: 90796-69-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90796-69-3
Multi CAS
No
Molecular Formula
C9H20N2O2
Molecular Weight
188.270000
Exact Mass
188.152478
InChI
InChI=1S/C9H20N2O2/c1-11(2)8-4-6-10-7-5-9(12)13-3/h10H,4-8H2,1-3H3
InChIKey
WQKFFWPHFBTKLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.67
TPSA
41.57

LogP / Solubility

WLOGP
0.09
MLOGP
0.08
Consensus LogP
0.06
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-3.8

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

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