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CAS 62252-24-8 2-(2-methoxy-2-oxoethyl)-4-nitrobenzoic acid molecular structure lightbox
CAS RN: 62252-24-8

2-(2-methoxy-2-oxoethyl)-4-nitrobenzoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260520 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS62252-24-8
  • Purity/Analytical Methods: >99.0%
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62252-24-8 / 2-(2-methoxy-2-oxoethyl)-5-nitrobenzoic acid

Standard CAS: 62252-24-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62252-24-8
Multi CAS
Yes
Molecular Formula
C10H9NO6
Molecular Weight
239.180000
Exact Mass
239.042987
InChI
InChI=1S/C10H9NO6/c1-17-9(12)4-6-2-3-7(11(15)16)5-8(6)10(13)14/h2-3,5H,4H2,1H3,(H,13,14)
InChIKey
SOEHEDZSEMCWQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.78
TPSA
106.74

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
1.1
Consensus LogP
1
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-3.46

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
1.5

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