CAS RN: 1180504-64-6
7-Hydroxy-3-(4-hydroxybenzyl)chroman
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.20250614 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1180504-64-6
- Purity/Analytical Methods: >99.0%
1180504-64-6 / 3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol
7-hydroxy-3-(4-hydroxybenzyl)chroman | 3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol | 3-((4-hydroxyphenyl)methyl)-3,4-dihydro-2H-chromen-7-ol
Basic Information
CAS
1180504-64-6
Multi CAS
Yes
Molecular Formula
C16H16O3
Molecular Weight
256.300000
Exact Mass
256.109944
SMILES
C1C(COC2=C1C=CC(=C2)O)CC3=CC=C(C=C3)O
InChI
InChI=1S/C16H16O3/c17-14-4-1-11(2-5-14)7-12-8-13-3-6-15(18)9-16(13)19-10-12/h1-6,9,12,17-18H,7-8,10H2
InChIKey
GXMQROMLTBPBKV-UHFFFAOYSA-N
Synonyms
7-hydroxy-3-(4-hydroxybenzyl)chroman
3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol
3-((4-hydroxyphenyl)methyl)-3,4-dihydro-2H-chromen-7-ol
RefChem:106144
7,4'-Dihydroxyhomoisoflavane
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.61
TPSA
49.69
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
3.4
Consensus LogP
2.95
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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