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CAS 124215-72-1 (Tert-Butoxy)Carbonyl D-Phe-Phe-OH molecular structure lightbox
CAS RN: 124215-72-1

(Tert-Butoxy)Carbonyl D-Phe-Phe-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250627 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS124215-72-1
  • Purity/Analytical Methods: >99.0%
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124215-72-1 / (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid

Standard CAS: 124215-72-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124215-72-1
Multi CAS
No
Molecular Formula
C23H28N2O5
Molecular Weight
412.500000
Exact Mass
412.199822
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C23H28N2O5/c1-23(2,3)30-22(29)25-18(14-16-10-6-4-7-11-16)20(26)24-19(21(27)28)15-17-12-8-5-9-13-17/h4-13,18-19H,14-15H2,1-3H3,(H,24,26)(H,25,29)(H,27,28)/t18-,19+/m1/s1
InChIKey
NNOBHAOOLCEJBL-MOPGFXCFSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
113.02
TPSA
104.73

LogP / Solubility

WLOGP
2.93
MLOGP
2.61
XLogP3
3.1
Consensus LogP
2.88
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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