CAS RN: 58917-67-2
+-7R,8T-DIHYDROXY-9T,-10T-EPOXY-7,8,9,10-TETRAHYDROBENZO(A.
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.20251014 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS58917-67-2
- Purity/Analytical Methods: >99.0%
58917-67-2 / 4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol
Basic Information
CAS
58917-67-2
Multi CAS
Yes
Molecular Formula
C20H14O3
Molecular Weight
302.300000
Exact Mass
302.094294
InChI
InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18+,19-,20+/m1/s1
InChIKey
DQEPMTIXHXSFOR-WCIQWLHISA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
88.73
TPSA
52.99
LogP / Solubility
WLOGP
3.43
MLOGP
3.03
XLogP3
2.9
Consensus LogP
3.12
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
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)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
6
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