[email protected]
CAS 586400-06-8 N,N’-Bis(4-ethoxycarbonylphenyl)-N-benzylformamidine molecular structure lightbox
CAS RN: 586400-06-8

N,N’-Bis(4-ethoxycarbonylphenyl)-N-benzylformamidine

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250304 200mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: starshine_CAS586400-06-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

586400-06-8 / ethyl 4-[(N-benzyl-4-ethoxycarbonylanilino)methylideneamino]benzoate

Standard CAS: 586400-06-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
586400-06-8
Multi CAS
No
Molecular Formula
C26H26N2O4
Molecular Weight
430.500000
Exact Mass
430.189257
InChI
InChI=1S/C26H26N2O4/c1-3-31-25(29)21-10-14-23(15-11-21)27-19-28(18-20-8-6-5-7-9-20)24-16-12-22(13-17-24)26(30)32-4-2/h5-17,19H,3-4,18H2,1-2H3
InChIKey
WHRPFDOAMQIPQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
9
H-bond acceptors
5
Molar refractivity
125.57
TPSA
68.2

LogP / Solubility

WLOGP
5.41
MLOGP
4.79
XLogP3
5.1
Consensus LogP
5.1
Log S (ESOL)
-5.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.03
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)
-1.51

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

Customers Also Viewed

Get In Touch

Contact Us