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CAS 24037-72-7 2-(3-METHOXY-PHENYL)-2-OXO-ETHYL-AMMONIUM, CHLORIDE molecular structure lightbox
CAS RN: 24037-72-7

2-(3-METHOXY-PHENYL)-2-OXO-ETHYL-AMMONIUM, CHLORIDE

  • Product code: SSC-117117
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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: 0.1g, 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 24037-72-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

24037-72-7 / [2-(3-methoxyphenyl)-2-oxoethyl]azanium chloride

Standard CAS: 24037-72-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24037-72-7
Multi CAS
No
Molecular Formula
C9H12ClNO2
Molecular Weight
201.650000
Exact Mass
201.055656
SMILES
COC1=CC=CC(=C1)C(=O)C[NH3+].[Cl-]
InChI
InChI=1S/C9H11NO2.ClH/c1-12-8-4-2-3-7(5-8)9(11)6-10;/h2-5H,6,10H2,1H3;1H
InChIKey
NHGCBHQCONRQKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.08
TPSA
53.94

LogP / Solubility

WLOGP
-2.88
MLOGP
-2.53
XLogP3
-2.88
Consensus LogP
-2.76
Log S (ESOL)
0.58
Class (ESOL)
Highly soluble
Log S (Ali)
0.86
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.06
Class (SILICOS-IT)
Highly 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)
-5.99

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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