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CAS 143269-74-3 3-Amino-4-chlorobenzoic acid hexadecyl ester molecular structure lightbox
CAS RN: 143269-74-3

3-Amino-4-chlorobenzoic acid hexadecyl ester

  • Product code: SSC-054670
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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: ≥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 143269-74-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

143269-74-3 / hexadecyl 3-amino-4-chlorobenzoate

Standard CAS: 143269-74-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
143269-74-3
Multi CAS
No
Molecular Formula
C23H38ClNO2
Molecular Weight
396.000000
Exact Mass
395.259107
SMILES
CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)N
InChI
InChI=1S/C23H38ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)20-16-17-21(24)22(25)19-20/h16-17,19H,2-15,18,25H2,1H3
InChIKey
WZPMUDCUMKEHSE-UHFFFAOYSA-N

Physical Properties

Physical Description
Dry Powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
16
H-bond acceptors
3
H-bond donors
1
Molar refractivity
116.46
TPSA
52.32

LogP / Solubility

WLOGP
7.56
MLOGP
6.68
XLogP3
9.5
Consensus LogP
7.91
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-8.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.43
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Environmental Hazard
GHS Hazard Statements
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

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