[email protected]
CAS 955400-19-8 1-benzhydryl-3-(MethoxyMethyl)azetidine molecular structure lightbox
CAS RN: 955400-19-8

1-benzhydryl-3-(MethoxyMethyl)azetidine

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251008 1g Out of stock Inquiry
Batchno.20260506 250mg Out of stock Inquiry
Batchno.20250322 5g Out of stock Inquiry
  • Product code: SSC-211009
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: 1g
  • 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 955400-19-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

955400-19-8 / 1-benzhydryl-3-(methoxymethyl)azetidine

Standard CAS: 955400-19-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
955400-19-8
Multi CAS
No
Molecular Formula
C18H21NO
Molecular Weight
267.400000
Exact Mass
267.162314
InChI
InChI=1S/C18H21NO/c1-20-14-15-12-19(13-15)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3
InChIKey
UZMOKQUZHHAIAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
81.67
TPSA
12.47

LogP / Solubility

WLOGP
3.35
MLOGP
2.96
XLogP3
3.3
Consensus LogP
3.2
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us