[email protected]
CAS 1345983-89-2 DiMethyl 3-aMinopentanedioate acetate molecular structure lightbox
CAS RN: 1345983-89-2

DiMethyl 3-aMinopentanedioate acetate

  • Product code: SSC-042442
GET A QUOTE
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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1345983-89-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1345983-89-2 / acetic acid;dimethyl 3-aminopentanedioate

Standard CAS: 1345983-89-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1345983-89-2
Multi CAS
No
Molecular Formula
C9H17NO6
Molecular Weight
235.230000
Exact Mass
235.105587
SMILES
CC(=O)O.COC(=O)CC(CC(=O)OC)N
InChI
InChI=1S/C7H13NO4.C2H4O2/c1-11-6(9)3-5(8)4-7(10)12-2;1-2(3)4/h5H,3-4,8H2,1-2H3;1H3,(H,3,4)
InChIKey
QJGRKOMLBCJWAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
54.55
TPSA
115.92

LogP / Solubility

WLOGP
-0.47
MLOGP
-0.41
XLogP3
-0.47
Consensus LogP
-0.45
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.49

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us