[email protected]
CAS 27210-57-7 Miltrione molecular structure lightbox
CAS RN: 27210-57-7

Miltrione

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251129 100mg In stock Shanghai Inquiry
Batchno.20250410 10mg In stock Shanghai Inquiry
Batchno.20250118 1mg In stock Shanghai Inquiry
Batchno.20250803 25mg In stock Shanghai Inquiry
Batchno.20251203 50mg In stock Shanghai Inquiry
Batchno.20250402 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS27210-57-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

27210-57-7 / 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione

Standard CAS: 27210-57-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
27210-57-7
Multi CAS
Yes
Molecular Formula
C19H22O2
Molecular Weight
282.400000
Exact Mass
282.161980
InChI
InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3
InChIKey
FEFAIBOZOKSLJR-UHFFFAOYSA-N

Physical Properties

Melting Point
100 °C
Boiling Point
421.00 to 422.00 °C. @ 760.00 mm Hg
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
84.56
TPSA
34.14

LogP / Solubility

WLOGP
4.11
MLOGP
3.62
XLogP3
4.9
Consensus LogP
4.21
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us