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CAS 37971-69-0 AROMADENDRIN 7-O-METHYL ETHER molecular structure lightbox
CAS RN: 37971-69-0

AROMADENDRIN 7-O-METHYL ETHER

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250512 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS37971-69-0
  • Purity/Analytical Methods: >99.0%
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37971-69-0 / (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one

Standard CAS: 37971-69-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37971-69-0
Multi CAS
Yes
Molecular Formula
C16H14O6
Molecular Weight
302.280000
Exact Mass
302.079038
InChI
InChI=1S/C16H14O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3/t15-,16+/m0/s1
InChIKey
LZLGHWHSUZVUFZ-JKSUJKDBSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
76.47
TPSA
96.22

LogP / Solubility

WLOGP
1.78
MLOGP
1.58
XLogP3
2.2
Consensus LogP
1.85
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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