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CAS 2055155-75-2 Jinflexin A molecular structure lightbox
CAS RN: 2055155-75-2

Jinflexin A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250515 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS2055155-75-2
  • Purity/Analytical Methods: >99.0%
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2055155-75-2 / 4-(1-methoxyethyl)-1,8-dimethyl-9,10-dihydrophenanthrene-2,7-diol

Standard CAS: 2055155-75-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055155-75-2
Multi CAS
No
Molecular Formula
C19H22O3
Molecular Weight
298.400000
Exact Mass
298.156895
SMILES
CC1=C(C=CC2=C1CCC3=C2C(=CC(=C3C)O)C(C)OC)O
InChI
InChI=1S/C19H22O3/c1-10-13-5-6-14-11(2)18(21)9-16(12(3)22-4)19(14)15(13)7-8-17(10)20/h7-9,12,20-21H,5-6H2,1-4H3
InChIKey
XPMKDCLPDROINI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
87.51
TPSA
49.69

LogP / Solubility

WLOGP
4.19
MLOGP
3.7
XLogP3
3.9
Consensus LogP
3.93
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
Class (SILICOS-IT)
Slightly soluble

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)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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