[email protected]
CAS 199800-49-2 AG-041R molecular structure lightbox
CAS RN: 199800-49-2

AG-041R

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250828 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS199800-49-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

199800-49-2 / 2-[(3R)-1-(2,2-diethoxyethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide

Standard CAS: 199800-49-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199800-49-2
Multi CAS
No
Molecular Formula
C31H36N4O5
Molecular Weight
544.600000
Exact Mass
544.268570
SMILES
CCOC(CN1C2=CC=CC=C2[C@@](C1=O)(CC(=O)NC3=CC=C(C=C3)C)NC(=O)NC4=CC=C(C=C4)C)OCC
InChI
InChI=1S/C31H36N4O5/c1-5-39-28(40-6-2)20-35-26-10-8-7-9-25(26)31(29(35)37,19-27(36)32-23-15-11-21(3)12-16-23)34-30(38)33-24-17-13-22(4)14-18-24/h7-18,28H,5-6,19-20H2,1-4H3,(H,32,36)(H2,33,34,38)/t31-/m1/s1
InChIKey
KOLPMNSDISYEBU-WJOKGBTCSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
3
Molar refractivity
155.27
TPSA
109

LogP / Solubility

WLOGP
5.09
MLOGP
4.52
XLogP3
4.3
Consensus LogP
4.64
Log S (ESOL)
-6.03
Class (ESOL)
Insoluble
Log S (Ali)
-7.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.75
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us