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CAS 84552-63-6 H-Tyr-pro-otbu molecular structure lightbox
CAS RN: 84552-63-6

H-Tyr-pro-otbu

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250721 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS84552-63-6
  • Purity/Analytical Methods: >99.0%
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84552-63-6 / tert-butyl 1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylate

Standard CAS: 84552-63-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84552-63-6
Multi CAS
Yes
Molecular Formula
C18H26N2O4
Molecular Weight
334.400000
Exact Mass
334.189257
InChI
InChI=1S/C18H26N2O4/c1-18(2,3)24-17(23)15-5-4-10-20(15)16(22)14(19)11-12-6-8-13(21)9-7-12/h6-9,14-15,21H,4-5,10-11,19H2,1-3H3/t14-,15-/m0/s1
InChIKey
AYENTTBACYFCMH-GJZGRUSLSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
90.37
TPSA
92.86

LogP / Solubility

WLOGP
1.59
MLOGP
1.42
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-3.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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