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CAS 10500-64-8 4-[(7-Chloro-4-quinolinyl)amino]-1-pentanol molecular structure lightbox
CAS RN: 10500-64-8

4-[(7-Chloro-4-quinolinyl)amino]-1-pentanol

  • Product code: SSC-006799
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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 10500-64-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

10500-64-8 / 4-[(7-chloroquinolin-4-yl)amino]pentan-1-ol

4-[(7-CHLORO-4-QUINOLINYL)AMINO]-1-PENTANOL | 4-((7-Chloroquinolin-4-yl)amino)pentan-1-ol | 4-[(7-chloroquinolin-4-yl)amino]pentan-1-ol

Standard CAS: 10500-64-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10500-64-8
Multi CAS
No
Molecular Formula
C14H17ClN2O
Molecular Weight
264.750000
Exact Mass
264.102941
SMILES
CC(CCCO)NC1=C2C=CC(=CC2=NC=C1)Cl
InChI
InChI=1S/C14H17ClN2O/c1-10(3-2-8-18)17-13-6-7-16-14-9-11(15)4-5-12(13)14/h4-7,9-10,18H,2-3,8H2,1H3,(H,16,17)
InChIKey
BZUKCXDUDOUBKN-UHFFFAOYSA-N
Synonyms
4-[(7-CHLORO-4-QUINOLINYL)AMINO]-1-PENTANOL 4-((7-Chloroquinolin-4-yl)amino)pentan-1-ol 4-[(7-chloroquinolin-4-yl)amino]pentan-1-ol Hydroxychloroquine Impurity E EJE6FV8MPA

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
76.16
TPSA
45.15

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
3.2
Consensus LogP
3.24
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
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)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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