CAS RN: 119309-36-3
PINOBANKSIN-5-METHYLETHER
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.20250912 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS119309-36-3
- Purity/Analytical Methods: >99.0%
119309-36-3 / (2R,3R)-3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-5-methoxy-2-phenyl-, (2R,3R)- | (2R,3R)-3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one | RefChem:1071822
Basic Information
CAS
119309-36-3
Multi CAS
Yes
Molecular Formula
C16H14O5
Molecular Weight
286.280000
Exact Mass
286.084124
SMILES
COC1=CC(=CC2=C1C(=O)[C@@H]([C@H](O2)C3=CC=CC=C3)O)O
InChI
InChI=1S/C16H14O5/c1-20-11-7-10(17)8-12-13(11)14(18)15(19)16(21-12)9-5-3-2-4-6-9/h2-8,15-17,19H,1H3/t15-,16+/m0/s1
InChIKey
NIMIDMFTGGTHOH-JKSUJKDBSA-N
Synonyms
4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-5-methoxy-2-phenyl-, (2R,3R)-
(2R,3R)-3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
RefChem:1071822
Pinobanksin 5-methyl ether
(2R,3R)-3,7-Dihydroxy-5-methoxy-2-phenylchroman-4-one
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
74.81
TPSA
75.99
LogP / Solubility
WLOGP
2.08
MLOGP
1.84
XLogP3
2
Consensus LogP
1.97
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-2.99
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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