[email protected]
CAS 223127-23-9 6-(4-Methoxyphenyl)-nicotinic acid molecular structure lightbox
CAS RN: 223127-23-9

6-(4-Methoxyphenyl)-nicotinic acid

  • Product code: SSC-108734
GET A QUOTE
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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 223127-23-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

223127-23-9 / 6-(4-methoxyphenyl)pyridine-3-carboxylic acid

Standard CAS: 223127-23-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
223127-23-9
Multi CAS
No
Molecular Formula
C13H11NO3
Molecular Weight
229.230000
Exact Mass
229.073893
SMILES
COC1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C13H11NO3/c1-17-11-5-2-9(3-6-11)12-7-4-10(8-14-12)13(15)16/h2-8H,1H3,(H,15,16)
InChIKey
HTFUPRQBIIZYTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.18
TPSA
59.42

LogP / Solubility

WLOGP
2.46
MLOGP
2.16
XLogP3
2
Consensus LogP
2.21
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us