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CAS 71811-27-3 Z-L-THREONINOL molecular structure lightbox
CAS RN: 71811-27-3

Z-L-THREONINOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260312 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS71811-27-3
  • Purity/Analytical Methods: >99.0%
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71811-27-3 / benzyl N-[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamate

Standard CAS: 71811-27-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71811-27-3
Multi CAS
Yes
Molecular Formula
C12H17NO4
Molecular Weight
239.270000
Exact Mass
239.115758
InChI
InChI=1S/C12H17NO4/c1-9(15)11(7-14)13-12(16)17-8-10-5-3-2-4-6-10/h2-6,9,11,14-15H,7-8H2,1H3,(H,13,16)/t9-,11-/m1/s1
InChIKey
KHJJQBXHWBLXPU-MWLCHTKSSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
62.32
TPSA
78.79

LogP / Solubility

WLOGP
0.65
MLOGP
0.58
XLogP3
0.6
Consensus LogP
0.61
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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