CAS RN: 1178893-64-5
7,4′-Dihydroxyhomoisoflavanone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260215 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1178893-64-5
- Purity/Analytical Methods: >99.0%
1178893-64-5 / 7-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
7,4'-Dihydroxyhomoisoflavanone | 7-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one | (3R)-2,3-Dihydro-7-hydroxy-3-[(4-hydroxyphenyl)methyl]-4H-1-benzopyran-4-one
Basic Information
CAS
1178893-64-5
Multi CAS
Yes
Molecular Formula
C16H14O4
Molecular Weight
270.280000
Exact Mass
270.089209
SMILES
C1C(C(=O)C2=C(O1)C=C(C=C2)O)CC3=CC=C(C=C3)O
InChI
InChI=1S/C16H14O4/c17-12-3-1-10(2-4-12)7-11-9-20-15-8-13(18)5-6-14(15)16(11)19/h1-6,8,11,17-18H,7,9H2
InChIKey
KKCLNMWDNUQXPP-UHFFFAOYSA-N
Synonyms
7,4'-Dihydroxyhomoisoflavanone
7-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
(3R)-2,3-Dihydro-7-hydroxy-3-[(4-hydroxyphenyl)methyl]-4H-1-benzopyran-4-one
7,4'-Dihydrohomoisoflavone
SCHEMBL799753
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.23
TPSA
66.76
LogP / Solubility
WLOGP
2.53
MLOGP
2.24
XLogP3
2.7
Consensus LogP
2.49
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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