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CAS 201851-56-1 H-D-GLU(AMC)-OH molecular structure lightbox
CAS RN: 201851-56-1

H-D-GLU(AMC)-OH

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260428 5mg / 25mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS201851-56-1
  • Purity/Analytical Methods: >99.0%
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201851-56-1 / (2R)-2-amino-5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid

Standard CAS: 201851-56-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
201851-56-1
Multi CAS
No
Molecular Formula
C15H16N2O5
Molecular Weight
304.300000
Exact Mass
304.105922
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CC[C@H](C(=O)O)N
InChI
InChI=1S/C15H16N2O5/c1-8-6-14(19)22-12-7-9(2-3-10(8)12)17-13(18)5-4-11(16)15(20)21/h2-3,6-7,11H,4-5,16H2,1H3,(H,17,18)(H,20,21)/t11-/m1/s1
InChIKey
JPOAPPISZAGCAO-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
80.7
TPSA
122.63

LogP / Solubility

WLOGP
1.23
MLOGP
1.1
XLogP3
-1.9
Consensus LogP
0.14
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-3.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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