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CAS 114578-70-0 6-Acetylpyridine-2-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 114578-70-0

6-Acetylpyridine-2-carboxylic acid ethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-014300
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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: 1g
  • Available purity: ＞97%
  • 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 114578-70-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

114578-70-0 / ethyl 6-acetylpyridine-2-carboxylate

Ethyl 6-acetylpyridine-2-carboxylate | 6-Acetyl-picolinic acid ethyl ester | Ethyl 6-acetyl-2-pyridinecarboxylate

Standard CAS: 114578-70-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
114578-70-0
Multi CAS
No
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
SMILES
CCOC(=O)C1=CC=CC(=N1)C(=O)C
InChI
InChI=1S/C10H11NO3/c1-3-14-10(13)9-6-4-5-8(11-9)7(2)12/h4-6H,3H2,1-2H3
InChIKey
COYXIUHSZNHMAS-UHFFFAOYSA-N
Synonyms
Ethyl 6-acetylpyridine-2-carboxylate 6-Acetyl-picolinic acid ethyl ester Ethyl 6-acetyl-2-pyridinecarboxylate ethyl 6-acetylpicolinate MFCD09261291

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
50.2
TPSA
56.26

LogP / Solubility

WLOGP
1.46
MLOGP
1.28
XLogP3
1.4
Consensus LogP
1.38
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.86

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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