[email protected]
CAS 788824-50-0 N-tert-Butoxycarbonyl 3-IodotyraMine molecular structure lightbox
CAS RN: 788824-50-0

N-tert-Butoxycarbonyl 3-IodotyraMine

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260220 50mg / 250mg / 1g / 5g Confirm by inquiry Shandong Inquiry
  • Product code: starshine_CAS788824-50-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

788824-50-0 / tert-butyl N-[2-(4-hydroxy-3-iodophenyl)ethyl]carbamate

Standard CAS: 788824-50-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
788824-50-0
Multi CAS
No
Molecular Formula
C13H18InO3
Molecular Weight
363.190000
Exact Mass
363.033140
InChI
InChI=1S/C13H18INO3/c1-13(2,3)18-12(17)15-7-6-9-4-5-11(16)10(14)8-9/h4-5,8,16H,6-7H2,1-3H3,(H,15,17)
InChIKey
VJMBWFNUOPTEOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
78.76
TPSA
58.56

LogP / Solubility

WLOGP
3.06
MLOGP
2.72
XLogP3
3.2
Consensus LogP
2.99
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
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)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us