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CAS 10125-07-2 CYCLO(-GLY-PHE) molecular structure lightbox
CAS RN: 10125-07-2

CYCLO(-GLY-PHE)

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250807 100mg In stock Shanghai Inquiry
Batchno.20260622 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20250815 1g In stock Shanghai Inquiry
Batchno.20251214 250mg In stock Shanghai Inquiry
Batchno.20260223 5g Out of stock Inquiry
  • Product code: starshine_CAS10125-07-2
  • Purity/Analytical Methods: >99.0%
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10125-07-2 / (3S)-3-benzylpiperazine-2,5-dione

DTXSID70964640 | 3-Benzyl-3,6-dihydropyrazine-2,5-diol | RefChem:1067376

Standard CAS: 10125-07-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10125-07-2
Multi CAS
Yes
Molecular Formula
C11H12N2O2
Molecular Weight
204.220000
Exact Mass
204.089878
SMILES
C1C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2
InChI
InChI=1S/C11H12N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKey
UZOJHXFWJFSFAI-VIFPVBQESA-N
Synonyms
DTXSID70964640 3-Benzyl-3,6-dihydropyrazine-2,5-diol RefChem:1067376 DTXCID901392332 Cyclo(Phe-Gly)

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.09
TPSA
58.2

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.14
XLogP3
0.3
Consensus LogP
0.0000
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
Class (SILICOS-IT)
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)
-4.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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