[email protected]
CAS 71447-58-0 BOC-ASP(OCPENT)-OH molecular structure lightbox
CAS RN: 71447-58-0

BOC-ASP(OCPENT)-OH

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250818 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS71447-58-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

71447-58-0 / 4-cyclopentyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

Standard CAS: 71447-58-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71447-58-0
Multi CAS
Yes
Molecular Formula
C14H23NO6
Molecular Weight
301.340000
Exact Mass
301.152537
InChI
InChI=1S/C14H23NO6/c1-14(2,3)21-13(19)15-10(12(17)18)8-11(16)20-9-6-4-5-7-9/h9-10H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKey
KZNUOIDFRKKMRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.79
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
73.76
TPSA
101.93

LogP / Solubility

WLOGP
1.84
MLOGP
1.63
XLogP3
1.7
Consensus LogP
1.72
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us