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CAS 34046-43-0 2-Formylbenzoic acid ethyl ester molecular structure lightbox
CAS RN: 34046-43-0

2-Formylbenzoic acid ethyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS34046-43-0
  • Purity/Analytical Methods: >99.0%
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34046-43-0 / ethyl 2-formylbenzoate

Standard CAS: 34046-43-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34046-43-0
Multi CAS
No
Molecular Formula
C10H10O3
Molecular Weight
178.180000
Exact Mass
178.062994
InChI
InChI=1S/C10H10O3/c1-2-13-10(12)9-6-4-3-5-8(9)7-11/h3-7H,2H2,1H3
InChIKey
IQYZISJXVKSMNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
47.79
TPSA
43.37

LogP / Solubility

WLOGP
1.68
MLOGP
1.47
XLogP3
2.2
Consensus LogP
1.78
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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