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CAS 876310-60-0 2-ADAMANTANECARBONYL-ARG-PHE-NH2 TRIFLUOROACETATE molecular structure lightbox
CAS RN: 876310-60-0

2-ADAMANTANECARBONYL-ARG-PHE-NH2 TRIFLUOROACETATE

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260202 25mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260107 1mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS876310-60-0
  • Purity/Analytical Methods: >99.0%
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876310-60-0 / N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]adamantane-2-carboxamide

Standard CAS: 876310-60-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
876310-60-0
Multi CAS
Yes
Molecular Formula
C26H38N6O3
Molecular Weight
482.600000
Exact Mass
482.300539
InChI
InChI=1S/C26H38N6O3/c27-22(33)21(12-16-5-2-1-3-6-16)31-23(34)20(7-4-8-30-25(28)29)32-24(35)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-3,5-6,17-21H,4,7-15H2,(H2,27,33)(H,31,34)(H,32,35)(H4,28,29,30)/t17?,18?,19?,20-,21-,26?/m0/s1
InChIKey
UMKHUSRDQFQHAK-RNJMTYCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
5
Molar refractivity
133.65
TPSA
165.69

LogP / Solubility

WLOGP
0.81
MLOGP
0.75
XLogP3
1.9
Consensus LogP
1.15
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

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