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CAS 72155-48-7 BOC-AHPPA molecular structure lightbox
CAS RN: 72155-48-7

BOC-AHPPA

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260108 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS72155-48-7
  • Purity/Analytical Methods: >99.0%
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72155-48-7 / (3S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid

Standard CAS: 72155-48-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72155-48-7
Multi CAS
Yes
Molecular Formula
C16H23NO5
Molecular Weight
309.360000
Exact Mass
309.157623
InChI
InChI=1S/C16H23NO5/c1-16(2,3)22-15(21)17-12(13(18)10-14(19)20)9-11-7-5-4-6-8-11/h4-8,12-13,18H,9-10H2,1-3H3,(H,17,21)(H,19,20)/t12-,13-/m0/s1
InChIKey
SOSXJQKIIYOJPF-STQMWFEESA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
81.56
TPSA
95.86

LogP / Solubility

WLOGP
1.96
MLOGP
1.74
XLogP3
1.8
Consensus LogP
1.83
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
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)
-3.22

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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