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CAS 438244-27-0 6-Oxo Norethindrone Acetate molecular structure lightbox
CAS RN: 438244-27-0

6-Oxo Norethindrone Acetate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250611 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS438244-27-0
  • Purity/Analytical Methods: >99.0%
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438244-27-0 / [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3,6-dioxo-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

Standard CAS: 438244-27-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
438244-27-0
Multi CAS
Yes
Molecular Formula
C22H26O4
Molecular Weight
354.400000
Exact Mass
354.183109
InChI
InChI=1S/C22H26O4/c1-4-22(26-13(2)23)10-8-19-17-12-20(25)18-11-14(24)5-6-15(18)16(17)7-9-21(19,22)3/h1,11,15-17,19H,5-10,12H2,2-3H3/t15-,16-,17-,19+,21+,22+/m1/s1
InChIKey
VWZKIXMSPWEBCV-KYPKCDLESA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.68
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
95.81
TPSA
60.44

LogP / Solubility

WLOGP
3.24
MLOGP
2.87
XLogP3
2.3
Consensus LogP
2.8
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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