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CAS 263847-55-8 5-[5,6,7,8-TETRAHYDRO-3,5,5,8,8-PENTAMETHYL-2-NAPHTHALENYL-METHYL]-N-(2,4,6-TRIMETHOXYPHENYL)-2-FURANCARBOXAMIDE molecular structure lightbox
CAS RN: 263847-55-8

5-[5,6,7,8-TETRAHYDRO-3,5,5,8,8-PENTAMETHYL-2-NAPHTHALENYL-METHYL]-N-(2,4,6-TRIMETHOXYPHENYL)-2-FURANCARBOXAMIDE

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10 package records8 with current stock2 grade groups
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Batchno.20250704 10mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS263847-55-8
  • Purity/Analytical Methods: >99.0%
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263847-55-8 / 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide

Standard CAS: 263847-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263847-55-8
Multi CAS
No
Molecular Formula
C30H37NO5
Molecular Weight
491.600000
Exact Mass
491.267173
SMILES
CC1=CC2=C(C=C1CC3=CC=C(O3)C(=O)NC4=C(C=C(C=C4OC)OC)OC)C(CCC2(C)C)(C)C
InChI
InChI=1S/C30H37NO5/c1-18-13-22-23(30(4,5)12-11-29(22,2)3)15-19(18)14-20-9-10-24(36-20)28(32)31-27-25(34-7)16-21(33-6)17-26(27)35-8/h9-10,13,15-17H,11-12,14H2,1-8H3,(H,31,32)
InChIKey
IPEMCIBPDYCJLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
17
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
142.03
TPSA
69.93

LogP / Solubility

WLOGP
6.81
MLOGP
6.02
XLogP3
7.5
Consensus LogP
6.78
Log S (ESOL)
-7.06
Class (ESOL)
Insoluble
Log S (Ali)
-8.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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