CAS RN: 57303-99-8
BENZO(A)PYRENE-7,8-DIOL
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250228 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS57303-99-8
- Purity/Analytical Methods: >99.0%
57303-99-8 / benzo[a]pyrene-7,8-diol
Basic Information
CAS
57303-99-8
Multi CAS
Yes
Molecular Formula
C20H12O2
Molecular Weight
284.300000
Exact Mass
284.083730
InChI
InChI=1S/C20H12O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,21-22H
InChIKey
FWKXMJCJEOUXDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
20
H-bond acceptors
2
H-bond donors
2
Molar refractivity
90.98
TPSA
40.46
LogP / Solubility
WLOGP
5.15
MLOGP
4.54
XLogP3
5.6
Consensus LogP
5.1
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
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)
-0.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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