[email protected]
CAS 755013-53-7 N’-(3,5-dimethylbenzoyl)-N’-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide molecular structure lightbox
CAS RN: 755013-53-7

N’-(3,5-dimethylbenzoyl)-N’-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260325 25mg / 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-184959
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 755013-53-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

755013-53-7 / N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide

Standard CAS: 755013-53-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
755013-53-7
Multi CAS
No
Molecular Formula
C25H34N2O3
Molecular Weight
410.500000
Exact Mass
410.256943
InChI
InChI=1S/C25H34N2O3/c1-9-22(25(5,6)7)27(24(29)19-14-16(2)13-17(3)15-19)26-23(28)20-11-10-12-21(30-8)18(20)4/h10-15,22H,9H2,1-8H3,(H,26,28)
InChIKey
APDYCXHWLFNHSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
120.82
TPSA
58.64

LogP / Solubility

WLOGP
5.23
MLOGP
4.63
XLogP3
6.3
Consensus LogP
5.39
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.27
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
3

Customers Also Viewed

Get In Touch

Contact Us