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CAS 672309-94-3 (R)-2-CBZ-AMINO-BUTANE-1,4-DIOL molecular structure lightbox
CAS RN: 672309-94-3

(R)-2-CBZ-AMINO-BUTANE-1,4-DIOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251226 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS672309-94-3
  • Purity/Analytical Methods: >99.0%
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672309-94-3 / benzyl N-[(2R)-1,4-dihydroxybutan-2-yl]carbamate

Standard CAS: 672309-94-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
672309-94-3
Multi CAS
Yes
Molecular Formula
C12H17NO4
Molecular Weight
239.270000
Exact Mass
239.115758
InChI
InChI=1S/C12H17NO4/c14-7-6-11(8-15)13-12(16)17-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2,(H,13,16)/t11-/m1/s1
InChIKey
UZEHYMIWBJBOPW-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
62.34
TPSA
78.79

LogP / Solubility

WLOGP
0.66
MLOGP
0.58
XLogP3
0.5
Consensus LogP
0.58
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.48
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

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