CAS RN: 3067-14-9
CCRIS 799
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260506 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS3067-14-9
- Purity/Analytical Methods: >99.0%
3067-14-9 / benzo[a]pyrene-3,6-dione
Basic Information
CAS
3067-14-9
Multi CAS
No
Molecular Formula
C20H10O2
Molecular Weight
282.300000
Exact Mass
282.068080
InChI
InChI=1S/C20H10O2/c21-17-10-6-11-5-7-13-12-3-1-2-4-14(12)20(22)16-9-8-15(17)18(11)19(13)16/h1-10H
InChIKey
MYRYNZSMCVOJHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
H-bond acceptors
2
Molar refractivity
86.18
TPSA
34.14
LogP / Solubility
WLOGP
4.26
MLOGP
3.76
XLogP3
4.3
Consensus LogP
4.11
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.42
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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