[email protected]
CAS 350820-56-3 BOC-D-TYR(ALL)-OH molecular structure lightbox
CAS RN: 350820-56-3

BOC-D-TYR(ALL)-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.20260608 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS350820-56-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

350820-56-3 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-prop-2-enoxyphenyl)propanoic acid

Standard CAS: 350820-56-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
350820-56-3
Multi CAS
Yes
Molecular Formula
C17H23NO5
Molecular Weight
321.400000
Exact Mass
321.157623
InChI
InChI=1S/C17H23NO5/c1-5-10-22-13-8-6-12(7-9-13)11-14(15(19)20)18-16(21)23-17(2,3)4/h5-9,14H,1,10-11H2,2-4H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKey
YIRRNENSHUFZBH-CQSZACIVSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.41
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
86.63
TPSA
84.86

LogP / Solubility

WLOGP
2.77
MLOGP
2.45
XLogP3
2.4
Consensus LogP
2.54
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly 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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us