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CAS 75448-69-0 Ethyl 3-(hydroxyMethyl)-1H-pyrrole-2-carboxylate molecular structure lightbox
CAS RN: 75448-69-0

Ethyl 3-(hydroxyMethyl)-1H-pyrrole-2-carboxylate

  • Product code: SSC-184915
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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: 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 75448-69-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

75448-69-0 / ethyl 3-(hydroxymethyl)-1H-pyrrole-2-carboxylate

Standard CAS: 75448-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75448-69-0
Multi CAS
No
Molecular Formula
C8H11NO3
Molecular Weight
169.180000
Exact Mass
169.073893
InChI
InChI=1S/C8H11NO3/c1-2-12-8(11)7-6(5-10)3-4-9-7/h3-4,9-10H,2,5H2,1H3
InChIKey
WCYXMMUKYMVJKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.67
TPSA
62.32

LogP / Solubility

WLOGP
0.68
MLOGP
0.6
XLogP3
0.4
Consensus LogP
0.56
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-3.27

Drug-likeness / Medicinal Chemistry

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

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