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CAS 6626-07-9 4-Chloro-2-[(6-methoxy-3-pyridinyl)amino] benzoic acid molecular structure lightbox
CAS RN: 6626-07-9

4-Chloro-2-[(6-methoxy-3-pyridinyl)amino] benzoic acid

  • Product code: SSC-175891
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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 6626-07-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

6626-07-9 / 4-chloro-2-[(6-methoxy-3-pyridinyl)amino]benzoic acid

Standard CAS: 6626-07-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6626-07-9
Multi CAS
Yes
Molecular Formula
C13H11CLN2O3
Molecular Weight
278.690000
Exact Mass
278.045820
InChI
InChI=1S/C13H11ClN2O3/c1-19-12-5-3-9(7-15-12)16-11-6-8(14)2-4-10(11)13(17)18/h2-7,16H,1H3,(H,17,18)
InChIKey
UYMKSOUAEXWFOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
72.48
TPSA
71.45

LogP / Solubility

WLOGP
3.19
MLOGP
2.81
XLogP3
3.4
Consensus LogP
3.13
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

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

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