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CAS 369391-55-9 Hydramicromelin B molecular structure lightbox
CAS RN: 369391-55-9

Hydramicromelin B

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251209 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS369391-55-9
  • Purity/Analytical Methods: >99.0%
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369391-55-9 / 6-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-7-methoxychromen-2-one

Standard CAS: 369391-55-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
369391-55-9
Multi CAS
Yes
Molecular Formula
C15H14O7
Molecular Weight
306.270000
Exact Mass
306.073953
InChI
InChI=1S/C15H14O7/c1-15(19)13(17)12(22-14(15)18)8-5-7-3-4-11(16)21-9(7)6-10(8)20-2/h3-6,12-13,17,19H,1-2H3
InChIKey
XSUHWPFITUMCFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
74.5
TPSA
106.2

LogP / Solubility

WLOGP
0.51
MLOGP
0.46
XLogP3
0.3
Consensus LogP
0.42
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

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