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CAS 112471-82-6 L-Glutamic acid 5-cyclohexyl ester molecular structure lightbox
CAS RN: 112471-82-6

L-Glutamic acid 5-cyclohexyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS112471-82-6
  • Purity/Analytical Methods: >99.0%
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112471-82-6 / (2S)-2-amino-5-cyclohexyloxy-5-oxopentanoic acid

L-GLUTAMIC ACID 5-CYCLOHEXYL ESTER | 2-amino-5-(cyclohexoxy)-5-oxo-pentanoic acid | SCHEMBL18071166

Standard CAS: 112471-82-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
112471-82-6
Multi CAS
Yes
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
SMILES
C1CCC(CC1)OC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C11H19NO4/c12-9(11(14)15)6-7-10(13)16-8-4-2-1-3-5-8/h8-9H,1-7,12H2,(H,14,15)/t9-/m0/s1
InChIKey
JSYMWKYNCWQUOY-VIFPVBQESA-N
Synonyms
L-GLUTAMIC ACID 5-CYCLOHEXYL ESTER 2-amino-5-(cyclohexoxy)-5-oxo-pentanoic acid SCHEMBL18071166 L-Glutamic acid g-cyclohexyl ester DB-041096

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
57.81
TPSA
89.62

LogP / Solubility

WLOGP
1.05
MLOGP
0.93
XLogP3
-1.4
Consensus LogP
0.19
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

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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