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CAS 78123-71-4 DAGO molecular structure lightbox
CAS RN: 78123-71-4

DAGO

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250514 1mg In stock Shanghai, Guangdong Inquiry
Batchno.20251007 25mg Out of stock 5-7 business days Inquiry
Batchno.20250726 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS78123-71-4
  • Purity/Analytical Methods: >99.0%
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78123-71-4 / 2-amino-N-[1-[[2-[[1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide

Standard CAS: 78123-71-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78123-71-4
Multi CAS
Yes
Molecular Formula
C26H35N5O6
Molecular Weight
513.600000
Exact Mass
513.258734
InChI
InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
InChIKey
HPZJMUBDEAMBFI-WTNAPCKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
13
H-bond acceptors
7
H-bond donors
6
Molar refractivity
137.2
TPSA
174.09

LogP / Solubility

WLOGP
-0.94
MLOGP
-0.79
XLogP3
0.2
Consensus LogP
-0.51
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly 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)
-6.52

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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