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CAS 64125-60-6 Longistylin C molecular structure lightbox
CAS RN: 64125-60-6

Longistylin C

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260110 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS64125-60-6
  • Purity/Analytical Methods: >99.0%
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64125-60-6 / 3-methoxy-4-(3-methylbut-2-enyl)-5-(2-phenylethenyl)phenol

Standard CAS: 64125-60-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64125-60-6
Multi CAS
Yes
Molecular Formula
C20H22O2
Molecular Weight
294.400000
Exact Mass
294.161980
InChI
InChI=1S/C20H22O2/c1-15(2)9-12-19-17(13-18(21)14-20(19)22-3)11-10-16-7-5-4-6-8-16/h4-11,13-14,21H,12H2,1-3H3/b11-10+
InChIKey
NFAWEPOBHKEHPO-ZHACJKMWSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
93.16
TPSA
29.46

LogP / Solubility

WLOGP
5.08
MLOGP
4.48
XLogP3
5.7
Consensus LogP
5.09
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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