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CAS 34529-06-1 3-AMINO-1,2-PHTHALIC ACID, DIMETHYL ESTER molecular structure lightbox
CAS RN: 34529-06-1

3-AMINO-1,2-PHTHALIC ACID, DIMETHYL ESTER

  • Product code: SSC-141008
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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: 10g
  • Available purity: ＞97%
  • 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 34529-06-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

34529-06-1 / 2-(2-hydroxyethyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione

Standard CAS: 34529-06-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34529-06-1
Multi CAS
Yes
Molecular Formula
C10H11NO4
Molecular Weight
209.200000
Exact Mass
209.068808
InChI
InChI=1S/C10H11NO4/c1-14-9(12)6-4-3-5-7(11)8(6)10(13)15-2/h3-5H,11H2,1-2H3
InChIKey
VEJKSNHPNFHCLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.59
TPSA
66.84

LogP / Solubility

WLOGP
-1.08
MLOGP
-0.95
XLogP3
-1.5
Consensus LogP
-1.18
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.36
Class (SILICOS-IT)
Very 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)
-4.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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