CAS RN: 6750-10-3
Fuegin
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250921 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS6750-10-3
- Purity/Analytical Methods: >99.0%
6750-10-3 / (1R,4S,5aS,9aS)-1,4-dihydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one
Basic Information
CAS
6750-10-3
Multi CAS
Yes
Molecular Formula
C15H22O4
Molecular Weight
266.330000
Exact Mass
266.151809
InChI
InChI=1S/C15H22O4/c1-14(2)5-4-6-15(3)9(14)7-8(16)10-11(15)13(18)19-12(10)17/h8-9,13,16,18H,4-7H2,1-3H3/t8-,9-,13+,15-/m0/s1
InChIKey
FFDNVMGPKVVVOG-JCTPYMPQSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.98
TPSA
66.76
LogP / Solubility
WLOGP
1.76
MLOGP
1.55
XLogP3
2
Consensus LogP
1.77
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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