CAS RN: 221054-79-1
R-Equol
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250224 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260130 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20250924 | 1g | In stock | Shenzhen, Chengdu | Inquiry |
| Batchno.20250717 | 250mg | In stock | Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20260211 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS221054-79-1
- Purity/Analytical Methods: >99.0%
221054-79-1 / (3R)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Basic Information
CAS
221054-79-1
Multi CAS
No
Molecular Formula
C15H14O3
Molecular Weight
242.270000
Exact Mass
242.094294
SMILES
C1[C@@H](COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m0/s1
InChIKey
ADFCQWZHKCXPAJ-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.15
TPSA
49.69
LogP / Solubility
WLOGP
2.82
MLOGP
2.48
XLogP3
3
Consensus LogP
2.77
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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