CAS RN: 143182-97-2

9,9-bis[4-(2-hydroxy-3-acryloyloxypropoxy)phenyl]fluorene

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Batchno.20260511 200g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS143182-97-2
  • Purity/Analytical Methods: >99.0%
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143182-97-2 / [2-hydroxy-3-[4-[9-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate

Standard CAS: 143182-97-2 Multi CAS: No

Basic Information

CAS
143182-97-2
Multi CAS
No
Molecular Formula
C37H34O8
Molecular Weight
606.700000
Exact Mass
606.225368
SMILES
C=CC(=O)OCC(COC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)OCC(COC(=O)C=C)O)O
InChI
InChI=1S/C37H34O8/c1-3-35(40)44-23-27(38)21-42-29-17-13-25(14-18-29)37(33-11-7-5-9-31(33)32-10-6-8-12-34(32)37)26-15-19-30(20-16-26)43-22-28(39)24-45-36(41)4-2/h3-20,27-28,38-39H,1-2,21-24H2
InChIKey
VUGKXJFTPZXBTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
24
Fraction Csp3
0.19
Rotatable bonds
14
H-bond acceptors
8
H-bond donors
2
Molar refractivity
169.06
TPSA
111.52

LogP / Solubility

WLOGP
4.99
MLOGP
4.44
XLogP3
6.3
Consensus LogP
5.24
Log S (ESOL)
-6.21
Class (ESOL)
Insoluble
Log S (Ali)
-8.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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