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CAS 137-52-0 Naphtanilide EL molecular structure lightbox
CAS RN: 137-52-0

Naphtanilide EL

  • Product code: SSC-046501
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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: ＞97%
  • 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 137-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

137-52-0 / N-(5-chloro-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide

Standard CAS: 137-52-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
137-52-0
Multi CAS
No
Molecular Formula
C18H14ClNO3
Molecular Weight
327.800000
Exact Mass
327.066221
SMILES
COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2O
InChI
InChI=1S/C18H14ClNO3/c1-23-17-7-6-13(19)10-15(17)20-18(22)14-8-11-4-2-3-5-12(11)9-16(14)21/h2-10,21H,1H3,(H,20,22)
InChIKey
WWXPGBMLOCYWLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
91.57
TPSA
58.56

LogP / Solubility

WLOGP
4.46
MLOGP
3.94
XLogP3
4.8
Consensus LogP
4.4
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 10 of 10 companies. For more detailed information, please visit ECHA C&L website.

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