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CAS 612511-84-9 5-(aMinoMethyl)-, ethyl ester, hydrochloride molecular structure lightbox
CAS RN: 612511-84-9

5-(aMinoMethyl)-, ethyl ester, hydrochloride

  • Product code: SSC-170031
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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: 0.05g, 0.1g, 0.25g, 1g
  • 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 612511-84-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

612511-84-9 / ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride

Standard CAS: 612511-84-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
612511-84-9
Multi CAS
Yes
Molecular Formula
C7H11CLN2O3
Molecular Weight
206.630000
Exact Mass
206.045820
InChI
InChI=1S/C7H10N2O3.ClH/c1-2-11-7(10)6-3-5(4-8)12-9-6;/h3H,2,4,8H2,1H3;1H
InChIKey
NJCWXJCDLIEWLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
47.6
TPSA
78.35

LogP / Solubility

WLOGP
0.73
MLOGP
0.64
XLogP3
0.73
Consensus LogP
0.7
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-3.46

Drug-likeness / Medicinal Chemistry

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

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