CAS RN: 10569-12-7
Tetrahydro-2α,5β-bis(3,4-dimethoxyphenyl)-3β,4α-dimethylfuran
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251228 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS10569-12-7
- Purity/Analytical Methods: >99.0%
10569-12-7 / 2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane
Furan, 2,5-bis(3,4-dimethoxyphenyl)tetrahydro-3,4-dimethyl-, (all-S)- | Furan, 2,5-bis(3,4-dimethoxyphenyl)tetrahydro-3,4-dimethyl-, [2S-(2.alpha.,3.beta.,4.alpha.,5.beta.)]- | RefChem:142158
Basic Information
CAS
10569-12-7
Multi CAS
Yes
Molecular Formula
C22H28O5
Molecular Weight
372.500000
Exact Mass
372.193674
SMILES
CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)C
InChI
InChI=1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3
InChIKey
JLJAVUZBHSLLJL-UHFFFAOYSA-N
Synonyms
Furan, 2,5-bis(3,4-dimethoxyphenyl)tetrahydro-3,4-dimethyl-, (all-S)-
Furan, 2,5-bis(3,4-dimethoxyphenyl)tetrahydro-3,4-dimethyl-, [2S-(2.alpha.,3.beta.,4.alpha.,5.beta.)]-
RefChem:142158
Furan, 2,5-bis(3,4-dimethoxyphenyl)tetrahydro-3,4-dimethyl-, (2S-(2alpha,3beta,4alpha,5beta))-
(-)-Galbelgin
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
103.99
TPSA
46.15
LogP / Solubility
WLOGP
4.81
MLOGP
4.25
XLogP3
4.4
Consensus LogP
4.49
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
Class (SILICOS-IT)
Insoluble
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)
-1.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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