[email protected]
CAS 136450-06-1 3”-ACETYL-2”-HYDROXY-4-(4-PHENYLBUTOXY)BENZANILIDE molecular structure lightbox
CAS RN: 136450-06-1

3”-ACETYL-2”-HYDROXY-4-(4-PHENYLBUTOXY)BENZANILIDE

  • Product code: SSC-045464
GET A QUOTE
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
Request Bulk Quote

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 136450-06-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

136450-06-1 / N-(3-acetyl-2-hydroxyphenyl)-4-(4-phenylbutoxy)benzamide

Standard CAS: 136450-06-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
136450-06-1
Multi CAS
No
Molecular Formula
C25H25NO4
Molecular Weight
403.500000
Exact Mass
403.178358
SMILES
CC(=O)C1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)OCCCCC3=CC=CC=C3)O
InChI
InChI=1S/C25H25NO4/c1-18(27)22-11-7-12-23(24(22)28)26-25(29)20-13-15-21(16-14-20)30-17-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,11-16,28H,5-6,10,17H2,1H3,(H,26,29)
InChIKey
NTUBQTVFDLDHRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
117.38
TPSA
75.63

LogP / Solubility

WLOGP
5.25
MLOGP
4.64
XLogP3
5.3
Consensus LogP
5.06
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.72
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.45

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

Customers Also Viewed

Get In Touch

Contact Us