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CAS 72648-46-5 6-Oxo Boldione molecular structure lightbox
CAS RN: 72648-46-5

6-Oxo Boldione

  • Product code: SSC-182146
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 72648-46-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

72648-46-5 / (8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,6,17-trione

Standard CAS: 72648-46-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72648-46-5
Multi CAS
Yes
Molecular Formula
C19H22O3
Molecular Weight
298.400000
Exact Mass
298.156895
InChI
InChI=1S/C19H22O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h5,7,9,12-14H,3-4,6,8,10H2,1-2H3/t12-,13-,14-,18+,19-/m0/s1
InChIKey
BXPQXTJWPDQYMP-IEVKOWOJSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.63
H-bond acceptors
3
Molar refractivity
82.01
TPSA
51.21

LogP / Solubility

WLOGP
3.04
MLOGP
2.69
XLogP3
2.3
Consensus LogP
2.68
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5.5

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