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CAS 483-65-8 RETENE molecular structure lightbox
CAS RN: 483-65-8

RETENE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260302 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS483-65-8
  • Purity/Analytical Methods: >99.0%
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483-65-8 / 1-methyl-7-propan-2-ylphenanthrene

Standard CAS: 483-65-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
483-65-8
Multi CAS
Yes
Molecular Formula
C18H18
Molecular Weight
234.300000
Exact Mass
234.140851
InChI
InChI=1S/C18H18/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-12H,1-3H3
InChIKey
NXLOLUFNDSBYTP-UHFFFAOYSA-N

Physical Properties

Melting Point
210 °F (NTP, 1992)
Boiling Point
734 to 741 °F at 760 mmHg ; 406 °F at 10 mmHg ; 316-329 °F at 0.2 mmHg (NTP, 1992)
Physical Description
Plates or scales (from ethanol) or pearly-beige small flakes. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
Fraction Csp3
0.22
Rotatable bonds
1
Molar refractivity
80.28
TPSA
0.0000

LogP / Solubility

WLOGP
5.42
MLOGP
4.78
XLogP3
6.5
Consensus LogP
5.57
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
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)
-0.3

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
1.5

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