[email protected]
CAS 339539-82-1 1,3-Piperidinedicarboxylic acid, 3-(phenylMethyl)-, 1-(1,1-diMethylethyl) ester, 3-(triMethylhydrazide),(3R)- molecular structure lightbox
CAS RN: 339539-82-1

1,3-Piperidinedicarboxylic acid, 3-(phenylMethyl)-, 1-(1,1-diMethylethyl) ester, 3-(triMethylhydrazide),(3R)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250321 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS339539-82-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

339539-82-1 / tert-butyl 3-benzyl-3-[dimethylamino(methyl)carbamoyl]piperidine-1-carboxylate

Standard CAS: 339539-82-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
339539-82-1
Multi CAS
Yes
Molecular Formula
C21H33N3O3
Molecular Weight
375.500000
Exact Mass
375.252192
InChI
InChI=1S/C21H33N3O3/c1-20(2,3)27-19(26)24-14-10-13-21(16-24,18(25)23(6)22(4)5)15-17-11-8-7-9-12-17/h7-9,11-12H,10,13-16H2,1-6H3/t21-/m1/s1
InChIKey
MICNJOWZWSCGOQ-OAQYLSRUSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
106.08
TPSA
53.09

LogP / Solubility

WLOGP
3.18
MLOGP
2.82
XLogP3
3.1
Consensus LogP
3.03
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us