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CAS 142986-44-5 STARBURST(R) (PAMAM) DENDRIMER, GENERATION 1 molecular structure lightbox
CAS RN: 142986-44-5

STARBURST(R) (PAMAM) DENDRIMER, GENERATION 1

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250510 1g In stock Shanghai, Shandong Inquiry
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Batchno.20250615 25g In stock Shandong Inquiry
Batchno.20250612 5g In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS142986-44-5
  • Purity/Analytical Methods: >99.0%
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142986-44-5 / N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[2-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyl]amino]propanoylamino]ethyl]amino]propanamide

Standard CAS: 142986-44-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142986-44-5
Multi CAS
No
Molecular Formula
C62H128N26O12
Molecular Weight
1429.800000
Exact Mass
1429.020504
SMILES
C(CN(CCC(=O)NCCN)CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)C(=O)NCCN
InChI
InChI=1S/C62H128N26O12/c63-13-21-71-51(89)1-33-83(34-2-52(90)72-22-14-64)45-29-79-59(97)9-41-87(42-10-60(98)80-30-46-84(35-3-53(91)73-23-15-65)36-4-54(92)74-24-16-66)49-50-88(43-11-61(99)81-31-47-85(37-5-55(93)75-25-17-67)38-6-56(94)76-26-18-68)44-12-62(100)82-32-48-86(39-7-57(95)77-27-19-69)40-8-58(96)78-28-20-70/h1-50,63-70H2,(H,71,89)(H,72,90)(H,73,91)(H,74,92)(H,75,93)(H,76,94)(H,77,95)(H,78,96)(H,79,97)(H,80,98)(H,81,99)(H,82,100)
InChIKey
QVWIZHOFYGKROL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
100
Fraction Csp3
0.81
Rotatable bonds
67
H-bond acceptors
26
H-bond donors
20
Molar refractivity
382.6
TPSA
576.8

LogP / Solubility

WLOGP
-11.46
MLOGP
-9.93
XLogP3
-16.1
Consensus LogP
-12.5
Log S (ESOL)
2.93
Class (ESOL)
Highly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-7.49
Class (SILICOS-IT)
Insoluble

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)
-19.58

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4

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