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CAS 20073-95-4 1,6-2-HYDROXYBENZOYLAMINOHEXANE molecular structure lightbox
CAS RN: 20073-95-4

1,6-2-HYDROXYBENZOYLAMINOHEXANE

  • Product code: SSC-094643
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 20073-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Beijing Inquiry

20073-95-4 / 2-hydroxy-N-[6-[(2-hydroxybenzoyl)amino]hexyl]benzamide

Standard CAS: 20073-95-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
20073-95-4
Multi CAS
No
Molecular Formula
C20H24N2O4
Molecular Weight
356.400000
Exact Mass
356.173607
SMILES
C1=CC=C(C(=C1)C(=O)NCCCCCCNC(=O)C2=CC=CC=C2O)O
InChI
InChI=1S/C20H24N2O4/c23-17-11-5-3-9-15(17)19(25)21-13-7-1-2-8-14-22-20(26)16-10-4-6-12-18(16)24/h3-6,9-12,23-24H,1-2,7-8,13-14H2,(H,21,25)(H,22,26)
InChIKey
RCZUFIIUHYDLDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
4
Molar refractivity
99.35
TPSA
98.66

LogP / Solubility

WLOGP
2.82
MLOGP
2.5
XLogP3
4
Consensus LogP
3.11
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501

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