[email protected]
CAS 1248730-88-2 4-(4-tert-ButoxycarbonylaMino-cyclohexyl)-piperazine-1-carboxylic acid benzyl ester molecular structure lightbox
CAS RN: 1248730-88-2

4-(4-tert-ButoxycarbonylaMino-cyclohexyl)-piperazine-1-carboxylic acid benzyl ester

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250623 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1248730-88-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1248730-88-2 / benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate

Standard CAS: 1248730-88-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1248730-88-2
Multi CAS
No
Molecular Formula
C23H35N3O4
Molecular Weight
417.500000
Exact Mass
417.262757
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)N2CCN(CC2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C23H35N3O4/c1-23(2,3)30-21(27)24-19-9-11-20(12-10-19)25-13-15-26(16-14-25)22(28)29-17-18-7-5-4-6-8-18/h4-8,19-20H,9-17H2,1-3H3,(H,24,27)
InChIKey
ALNSORIFMQKXTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
115.19
TPSA
71.11

LogP / Solubility

WLOGP
3.78
MLOGP
3.35
XLogP3
3.5
Consensus LogP
3.54
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us