[email protected]
CAS 1093070-14-4 PLpro inhibitor molecular structure lightbox
CAS RN: 1093070-14-4

PLpro inhibitor

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250212 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260206 100mg In stock Shanghai Inquiry
Batchno.20250518 10mg In stock Shanghai Inquiry
Batchno.20260106 1mg In stock Shanghai Inquiry
Batchno.20260623 250mg Out of stock Inquiry
Batchno.20250424 25mg In stock Shanghai Inquiry
Batchno.20250716 2mg In stock Shanghai Inquiry
Batchno.20250401 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250916 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1093070-14-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1093070-14-4 / 5-acetamido-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

(R)-5-acetamido-2-methyl-N-(1-(naphthalen-1-yl)ethyl)benzamide | CHEBI:167314 | 5-(acetylamino)-2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]benzamide

Standard CAS: 1093070-14-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1093070-14-4
Multi CAS
Yes
Molecular Formula
C22H22N2O2
Molecular Weight
346.400000
Exact Mass
346.168128
SMILES
CC1=C(C=C(C=C1)NC(=O)C)C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H22N2O2/c1-14-11-12-18(24-16(3)25)13-21(14)22(26)23-15(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,15H,1-3H3,(H,23,26)(H,24,25)/t15-/m1/s1
InChIKey
KGPYBLOBHQLIET-OAHLLOKOSA-N
Synonyms
(R)-5-acetamido-2-methyl-N-(1-(naphthalen-1-yl)ethyl)benzamide CHEBI:167314 5-(acetylamino)-2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]benzamide 5-ACETAMIDO-2-METHYL-N-[(1R)-1-(NAPHTHALEN-1-YL)ETHYL]BENZAMIDE KOM70144

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
105.31
TPSA
58.2

LogP / Solubility

WLOGP
4.6
MLOGP
4.06
XLogP3
3.9
Consensus LogP
4.19
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.21
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
No
Log Kp (skin permeation)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us