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CAS 743460-48-2 1-(2-(methylamino)ethyl)piperidin-4-yl [1,1′-biphenyl]-2-ylcarbamate molecular structure lightbox
CAS RN: 743460-48-2

1-(2-(methylamino)ethyl)piperidin-4-yl [1,1′-biphenyl]-2-ylcarbamate

  • Product code: SSC-183810
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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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 743460-48-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

743460-48-2 / [1-[2-(methylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

Standard CAS: 743460-48-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
743460-48-2
Multi CAS
No
Molecular Formula
C21H27N3O2
Molecular Weight
353.500000
Exact Mass
353.210327
InChI
InChI=1S/C21H27N3O2/c1-22-13-16-24-14-11-18(12-15-24)26-21(25)23-20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-10,18,22H,11-16H2,1H3,(H,23,25)
InChIKey
KBDAVUJVUPXLAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
105.37
TPSA
53.6

LogP / Solubility

WLOGP
3.59
MLOGP
3.17
XLogP3
2.6
Consensus LogP
3.12
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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