[email protected]
CAS 65899-87-8 4-[(E)-2-[(E)-2-but-3-enoxyethenoxy]ethenoxy]but-1-ene: 1,2-diethenylb enzene: N-(3-dimethylaminopropyl)prop-2-enamide molecular structure lightbox
CAS RN: 65899-87-8

4-[(E)-2-[(E)-2-but-3-enoxyethenoxy]ethenoxy]but-1-ene: 1,2-diethenylb enzene: N-(3-dimethylaminopropyl)prop-2-enamide

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260314 100g In stock Guangdong Inquiry
Batchno.20250810 2.5kg In stock Shanghai, Shandong Inquiry
Batchno.20250109 25g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250806 500g In stock Shanghai, Guangdong, Chongqing Inquiry
  • Product code: starshine_CAS65899-87-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

65899-87-8 / 1,2-bis(ethenyl)benzene;4-[2-(2-but-3-enoxyethenoxy)ethenoxy]but-1-ene;N-[3-(dimethylamino)propyl]prop-2-enamide

Standard CAS: 65899-87-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65899-87-8
Multi CAS
Yes
Molecular Formula
C30H44N2O4
Molecular Weight
496.700000
Exact Mass
496.330108
InChI
InChI=1S/C12H18O3.C10H10.C8H16N2O/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2;1-3-9-7-5-6-8-10(9)4-2;1-4-8(11)9-6-5-7-10(2)3/h3-4,9-12H,1-2,5-8H2;3-8H,1-2H2;4H,1,5-7H2,2-3H3,(H,9,11)
InChIKey
ZGXNLYRRYYOMNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
17
H-bond acceptors
5
H-bond donors
1
Molar refractivity
153.9
TPSA
60.03

LogP / Solubility

WLOGP
6.34
MLOGP
5.62
XLogP3
6.34
Consensus LogP
6.1
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.19
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us