![CAS 1795011-61-8 Benzo[c]phenanthrene-d5 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62557814.gif)
CAS RN: 1795011-61-8
Benzo[c]phenanthrene-d5
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.20260228 | 50mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1795011-61-8
- Purity/Analytical Methods: >99.0%
1795011-61-8 / 1,2,3,4,5-pentadeuteriobenzo[c]phenanthrene
Basic Information
CAS
1795011-61-8
Multi CAS
No
Molecular Formula
C18H12
Molecular Weight
233.300000
Exact Mass
233.125284
SMILES
[2H]C1=CC2=C(C3=CC=CC=C3C=C2)C4=C(C(=C(C(=C14)[2H])[2H])[2H])[2H]
InChI
InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H/i1D,3D,5D,7D,9D
InChIKey
TUAHORSUHVUKBD-KRQPPVTFSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
18
Molar refractivity
78.96
TPSA
0.0000
LogP / Solubility
WLOGP
5.15
MLOGP
4.53
XLogP3
5.7
Consensus LogP
5.13
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
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)
-0.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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