![CAS 1674359-82-0 6a,11a-Dihydro-6,9-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran-3-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1674359-82-0.gif)
CAS RN: 1674359-82-0
6a,11a-Dihydro-6,9-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran-3-ol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260508 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1674359-82-0
- Purity/Analytical Methods: >99.0%
1674359-82-0 / (6S,6aS,11aR)-6,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Basic Information
CAS
1674359-82-0
Multi CAS
No
Molecular Formula
C17H16O5
Molecular Weight
300.300000
Exact Mass
300.099774
SMILES
CO[C@@H]1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)OC
InChI
InChI=1S/C17H16O5/c1-19-10-4-6-11-14(8-10)21-16-12-5-3-9(18)7-13(12)22-17(20-2)15(11)16/h3-8,15-18H,1-2H3/t15-,16-,17-/m0/s1
InChIKey
VDHFFCPQILOKFG-ULQDDVLXSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.64
TPSA
57.15
LogP / Solubility
WLOGP
2.98
MLOGP
2.64
XLogP3
2.6
Consensus LogP
2.74
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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