[email protected]
CAS 644981-80-6 1-Boc-4-(4-fluorophenyl)-4-piperidineacetic acid molecular structure lightbox
CAS RN: 644981-80-6

1-Boc-4-(4-fluorophenyl)-4-piperidineacetic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS644981-80-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

644981-80-6 / 2-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid

Standard CAS: 644981-80-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
644981-80-6
Multi CAS
No
Molecular Formula
C18FH24NO4
Molecular Weight
337.400000
Exact Mass
337.168936
InChI
InChI=1S/C18H24FNO4/c1-17(2,3)24-16(23)20-10-8-18(9-11-20,12-15(21)22)13-4-6-14(19)7-5-13/h4-7H,8-12H2,1-3H3,(H,21,22)
InChIKey
HVLHOGZMJHSRMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.37
TPSA
66.84

LogP / Solubility

WLOGP
3.57
MLOGP
3.16
XLogP3
3
Consensus LogP
3.24
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
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
No
Log Kp (skin permeation)
-2.24

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