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CAS 10350-10-4 ETHYL 4-HYDROXY-6-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 10350-10-4

ETHYL 4-HYDROXY-6-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXYLATE

  • Product code: SSC-005059
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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: 25g
  • 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 10350-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

10350-10-4 / ethyl 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate

Ethyl 2,4-dihydroxy-6-methylnicotinate | ethyl 2,4-dihydroxy-6-methylpyridine-3-carboxylate | DTXSID70908448

Standard CAS: 10350-10-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10350-10-4
Multi CAS
Yes
Molecular Formula
C9H11NO4
Molecular Weight
197.190000
Exact Mass
197.068808
SMILES
CCOC(=O)C1=C(C=C(NC1=O)C)O
InChI
InChI=1S/C9H11NO4/c1-3-14-9(13)7-6(11)4-5(2)10-8(7)12/h4H,3H2,1-2H3,(H2,10,11,12)
InChIKey
CMCZAWPDHHYFPU-UHFFFAOYSA-N
Synonyms
Ethyl 2,4-dihydroxy-6-methylnicotinate ethyl 2,4-dihydroxy-6-methylpyridine-3-carboxylate DTXSID70908448 RefChem:593472 DTXCID401337529

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.42
TPSA
79.39

LogP / Solubility

WLOGP
0.57
MLOGP
0.5
XLogP3
0.9
Consensus LogP
0.66
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-3.52

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (16.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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