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CAS 78266-81-6 T-BUTYL (2S)-2-[(BENZYLOXYCARBONYLAMINO)]-4-HYDROXYBUTYRATE molecular structure lightbox
CAS RN: 78266-81-6

T-BUTYL (2S)-2-[(BENZYLOXYCARBONYLAMINO)]-4-HYDROXYBUTYRATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251216 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS78266-81-6
  • Purity/Analytical Methods: >99.0%
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78266-81-6 / tert-butyl (2S)-4-hydroxy-2-(phenylmethoxycarbonylamino)butanoate

Standard CAS: 78266-81-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78266-81-6
Multi CAS
Yes
Molecular Formula
C16H23NO5
Molecular Weight
309.360000
Exact Mass
309.157623
InChI
InChI=1S/C16H23NO5/c1-16(2,3)22-14(19)13(9-10-18)17-15(20)21-11-12-7-5-4-6-8-12/h4-8,13,18H,9-11H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKey
FXRLWSYREBUSNL-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
81.1
TPSA
84.86

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
2.1
Consensus LogP
1.96
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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)
-3.18

Drug-likeness / Medicinal Chemistry

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

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