[email protected]
CAS 1523571-12-1 3-(N-CBZ-AMinoMethyl)tetrahydropyran molecular structure lightbox
CAS RN: 1523571-12-1

3-(N-CBZ-AMinoMethyl)tetrahydropyran

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250213 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1523571-12-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1523571-12-1 / benzyl N-(oxan-3-ylmethyl)carbamate

Standard CAS: 1523571-12-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1523571-12-1
Multi CAS
No
Molecular Formula
C14H19NO3
Molecular Weight
249.300000
Exact Mass
249.136493
SMILES
C1CC(COC1)CNC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H19NO3/c16-14(15-9-13-7-4-8-17-10-13)18-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,15,16)
InChIKey
PEHYIKIUPOKBDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.17
TPSA
47.56

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2
Consensus LogP
2.13
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us