CAS RN: 37994-82-4
7-HYDROXYBENZO(A)PYRENE
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.20250501 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS37994-82-4
- Purity/Analytical Methods: >99.0%
37994-82-4 / benzo[a]pyren-7-ol
Basic Information
CAS
37994-82-4
Multi CAS
No
Molecular Formula
C20H12O
Molecular Weight
268.300000
Exact Mass
268.088815
InChI
InChI=1S/C20H12O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1-11,21H
InChIKey
CNQAYISXCZTDQX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
20
H-bond acceptors
1
H-bond donors
1
Molar refractivity
89.32
TPSA
20.23
LogP / Solubility
WLOGP
5.44
MLOGP
4.8
XLogP3
5.9
Consensus LogP
5.38
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.92
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)
-0.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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