CAS RN: 1705-85-7
6-METHYLCHRYSENE
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.20260121 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1705-85-7
- Purity/Analytical Methods: >99.0%
1705-85-7 / 6-methylchrysene
Basic Information
CAS
1705-85-7
Multi CAS
No
Molecular Formula
C19H14
Molecular Weight
242.300000
Exact Mass
242.109550
SMILES
CC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C14
InChI
InChI=1S/C19H14/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17/h2-12H,1H3
InChIKey
ASVDRLYVNFOSCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
18
Fraction Csp3
0.05
Molar refractivity
83.7
TPSA
0.0000
LogP / Solubility
WLOGP
5.45
MLOGP
4.81
XLogP3
6
Consensus LogP
5.42
Log S (ESOL)
-5.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
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)
-0.33
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
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (72.2%): Harmful if swallowed [Warning Acute toxicity, oral]
H371 (22.2%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]
H400 (72.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (72.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P264, P270, P273, P301+P317, P308+P316, P330, P391, P405, and P501
