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CAS 152362-03-3 2-CHLORO-5-ETHYLPYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 152362-03-3

2-CHLORO-5-ETHYLPYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250908 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS152362-03-3
  • Purity/Analytical Methods: >99.0%
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152362-03-3 / ethyl 2-chloro-5-ethylpyridine-3-carboxylate

Standard CAS: 152362-03-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152362-03-3
Multi CAS
No
Molecular Formula
C10H12ClNO2
Molecular Weight
213.660000
Exact Mass
213.055656
SMILES
CCC1=CC(=C(N=C1)Cl)C(=O)OCC
InChI
InChI=1S/C10H12ClNO2/c1-3-7-5-8(9(11)12-6-7)10(13)14-4-2/h5-6H,3-4H2,1-2H3
InChIKey
APQMAOWJHSXJTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
54.58
TPSA
39.19

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
2.8
Consensus LogP
2.48
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly 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)
-2.27

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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