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CAS 77629-51-7 3-Pyridinecarboxylic acid,1,2-dihydro-4-hydroxy-5,6-dimethyl-2-oxo-,ethyl ester molecular structure lightbox
CAS RN: 77629-51-7

3-Pyridinecarboxylic acid,1,2-dihydro-4-hydroxy-5,6-dimethyl-2-oxo-,ethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260617 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-187181
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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: ≥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 77629-51-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

77629-51-7 / ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate

Standard CAS: 77629-51-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77629-51-7
Multi CAS
Yes
Molecular Formula
C10H13NO4
Molecular Weight
211.210000
Exact Mass
211.084458
InChI
InChI=1S/C10H13NO4/c1-4-15-10(14)7-8(12)5(2)6(3)11-9(7)13/h4H2,1-3H3,(H2,11,12,13)
InChIKey
FXYKRZNQIKTPSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.16
TPSA
79.39

LogP / Solubility

WLOGP
0.87
MLOGP
0.77
XLogP3
0.8
Consensus LogP
0.81
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
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)
-3.39

Drug-likeness / Medicinal Chemistry

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

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