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CAS 1207194-50-0 Ethyl 5-Hydroxynicotinate Hydrochloride molecular structure lightbox
CAS RN: 1207194-50-0

Ethyl 5-Hydroxynicotinate Hydrochloride

  • Product code: SSC-021905
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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, 5g, 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 1207194-50-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

1207194-50-0 / ethyl 5-hydroxypyridine-3-carboxylate;hydrochloride

ETHYL 5-HYDROXYNICOTINATE HYDROCHLORIDE | MFCD14585009 | Ethyl 5-hydroxynicotinate HCl

Standard CAS: 1207194-50-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1207194-50-0
Multi CAS
Yes
Molecular Formula
C8H10ClNO3
Molecular Weight
203.620000
Exact Mass
203.034921
SMILES
CCOC(=O)C1=CC(=CN=C1)O.Cl
InChI
InChI=1S/C8H9NO3.ClH/c1-2-12-8(11)6-3-7(10)5-9-4-6;/h3-5,10H,2H2,1H3;1H
InChIKey
KBWSFBRAWVACQC-UHFFFAOYSA-N
Synonyms
ETHYL 5-HYDROXYNICOTINATE HYDROCHLORIDE MFCD14585009 Ethyl 5-hydroxynicotinate HCl Ethyl 5-hydroxynicotinate, HCl ethyl 5-hydroxypyridine-3-carboxylate;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.11
TPSA
59.42

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1.39
Consensus LogP
1.33
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.98

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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