![CAS 6272-55-5 7,8,9,10-TETRAHYDRO-BENZO[A]PYREN-7-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6272-55-5.gif)
CAS RN: 6272-55-5
7,8,9,10-TETRAHYDRO-BENZO[A]PYREN-7-OL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250826 | 50mg / 200mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6272-55-5
- Purity/Analytical Methods: >99.0%
6272-55-5 / 7,8,9,10-tetrahydrobenzo[a]pyren-7-ol
Basic Information
CAS
6272-55-5
Multi CAS
Yes
Molecular Formula
C20H16O
Molecular Weight
272.300000
Exact Mass
272.120115
InChI
InChI=1S/C20H16O/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/h1,3-4,7-11,18,21H,2,5-6H2
InChIKey
VKUQFYXBPGXTKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
88.04
TPSA
20.23
LogP / Solubility
WLOGP
4.95
MLOGP
4.37
XLogP3
4.9
Consensus LogP
4.74
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
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)
-0.86
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
4
