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CAS 2768-50-5 H-GLU(OBZL)-OBZL molecular structure lightbox
CAS RN: 2768-50-5

H-GLU(OBZL)-OBZL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260421 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2768-50-5
  • Purity/Analytical Methods: >99.0%
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2768-50-5 / dibenzyl (2S)-2-aminopentanedioate

Standard CAS: 2768-50-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2768-50-5
Multi CAS
No
Molecular Formula
C19H21NO4
Molecular Weight
327.400000
Exact Mass
327.147058
InChI
InChI=1S/C19H21NO4/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2/t17-/m0/s1
InChIKey
DHQUQYYPAWHGAR-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
89.69
TPSA
78.62

LogP / Solubility

WLOGP
2.58
MLOGP
2.29
XLogP3
2.4
Consensus LogP
2.42
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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