[email protected]
CAS 864711-37-5 2-Propenoic acid, 1,1′-[(1E)-1,2-diazenediylbis(4,1-phenyleneoxy-9,1-nonanediyl)] ester molecular structure lightbox
CAS RN: 864711-37-5

2-Propenoic acid, 1,1′-[(1E)-1,2-diazenediylbis(4,1-phenyleneoxy-9,1-nonanediyl)] ester

  • Product code: SSC-195542
GET A QUOTE
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, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 864711-37-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 2 In Stock Beijing Inquiry
10g >95% 2 In Stock Shenzhen Inquiry

864711-37-5 / 9-[4-[[4-(9-prop-2-enoyloxynonoxy)phenyl]diazenyl]phenoxy]nonyl prop-2-enoate

Standard CAS: 864711-37-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
864711-37-5
Multi CAS
No
Molecular Formula
C36H50N2O6
Molecular Weight
606.800000
Exact Mass
606.366887
InChI
InChI=1S/C36H50N2O6/c1-3-35(39)43-29-17-13-9-5-7-11-15-27-41-33-23-19-31(20-24-33)37-38-32-21-25-34(26-22-32)42-28-16-12-8-6-10-14-18-30-44-36(40)4-2/h3-4,19-26H,1-2,5-18,27-30H2
InChIKey
XINPFORGZSLODQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
26
H-bond acceptors
8
Molar refractivity
175
TPSA
95.78

LogP / Solubility

WLOGP
9.78
MLOGP
8.65
XLogP3
10.7
Consensus LogP
9.71
Log S (ESOL)
-8.25
Class (ESOL)
Insoluble
Log S (Ali)
-11.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.52

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us