![CAS 53734-74-0 4-[(R)-4,8-Dihydro-5-methoxy-8,8-dimethyl-2H,3H-benzo[1,2-b:5,4-b’]dipyran-3-yl]-1,3-benzenediol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53734-74-0.gif)
CAS RN: 53734-74-0
4-[(R)-4,8-Dihydro-5-methoxy-8,8-dimethyl-2H,3H-benzo[1,2-b:5,4-b’]dipyran-3-yl]-1,3-benzenediol
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.20260415 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS53734-74-0
- Purity/Analytical Methods: >99.0%
53734-74-0 / 4-(5-methoxy-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl)benzene-1,3-diol
Basic Information
CAS
53734-74-0
Multi CAS
Yes
Molecular Formula
C21H22O5
Molecular Weight
354.400000
Exact Mass
354.146724
InChI
InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1
InChIKey
FLKVRTIAGSMQLN-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
98.45
TPSA
68.15
LogP / Solubility
WLOGP
4.01
MLOGP
3.55
XLogP3
3.9
Consensus LogP
3.82
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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