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CAS 38664-16-3 4-(2-CARBOXY-ETHYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 38664-16-3

4-(2-CARBOXY-ETHYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER

  • Product code: SSC-146274
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 38664-16-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Hong Kong Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

38664-16-3 / 3-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl)propanoic acid

Standard CAS: 38664-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38664-16-3
Multi CAS
No
Molecular Formula
C11H15NO4
Molecular Weight
225.240000
Exact Mass
225.100108
InChI
InChI=1S/C11H15NO4/c1-3-16-11(15)10-7(2)12-6-8(10)4-5-9(13)14/h6,12H,3-5H2,1-2H3,(H,13,14)
InChIKey
QKKNFEZKVKMSGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.44
TPSA
79.39

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.1
Consensus LogP
1.32
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.02

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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