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CAS 144337-18-8 YM 26734 molecular structure lightbox
CAS RN: 144337-18-8

YM 26734

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260125 1mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS144337-18-8
  • Purity/Analytical Methods: >99.0%
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144337-18-8 / 1-[3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one

Standard CAS: 144337-18-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144337-18-8
Multi CAS
No
Molecular Formula
C45H62O8
Molecular Weight
731.000000
Exact Mass
730.444469
SMILES
CCCCCCCCCCCC(=O)C1=C(C(=C(C(=C1O)C2CC(OC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)O)C(=O)CCCCCCCCCCC)O
InChI
InChI=1S/C45H62O8/c1-3-5-7-9-11-13-15-17-19-21-36(48)41-43(50)40(44(51)42(45(41)52)37(49)22-20-18-16-14-12-10-8-6-4-2)35-30-38(31-23-25-32(46)26-24-31)53-39-29-33(47)27-28-34(35)39/h23-29,35,38,46-47,50-52H,3-22,30H2,1-2H3
InChIKey
CEJAYJCUSZHYDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
18
Fraction Csp3
0.56
Rotatable bonds
24
H-bond acceptors
8
H-bond donors
5
Molar refractivity
209.83
TPSA
144.52

LogP / Solubility

WLOGP
12.08
MLOGP
10.69
XLogP3
14.3
Consensus LogP
12.36
Log S (ESOL)
-10.65
Class (ESOL)
Insoluble
Log S (Ali)
-14.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.4

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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