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CAS 1596-56-1 NAPHTHOL AS-MX PHOSPHATE molecular structure lightbox
CAS RN: 1596-56-1

NAPHTHOL AS-MX PHOSPHATE

Product Availability

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7 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260113 100mg In stock Shanghai Inquiry
Batchno.20251017 1g In stock Shanghai Inquiry
Batchno.20260525 250mg In stock Shanghai Inquiry
Batchno.20251230 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250208 100mg In stock Shandong Inquiry
Batchno.20260627 25mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260304 25mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong 8-10 business days Inquiry
  • Product code: starshine_CAS1596-56-1
  • Purity/Analytical Methods: >99.0%
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1596-56-1 / [3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate

Standard CAS: 1596-56-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1596-56-1
Multi CAS
No
Molecular Formula
C19H18NO5P
Molecular Weight
371.300000
Exact Mass
371.092260
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OP(=O)(O)O)C
InChI
InChI=1S/C19H18NO5P/c1-12-7-8-17(13(2)9-12)20-19(21)16-10-14-5-3-4-6-15(14)11-18(16)25-26(22,23)24/h3-11H,1-2H3,(H,20,21)(H2,22,23,24)
InChIKey
IOMLBTHPCVDRHM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
100.49
TPSA
95.86

LogP / Solubility

WLOGP
4.18
MLOGP
3.7
XLogP3
3.1
Consensus LogP
3.66
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble

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)
-2.02

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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