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CAS 2479-90-5 1,3,5(10)-ESTRATRIEN-3-OL-17-ONE 3(O->1BETA)-D-GLYCOPYRANOSIDURONIC ACID molecular structure lightbox
CAS RN: 2479-90-5

1,3,5(10)-ESTRATRIEN-3-OL-17-ONE 3(O->1BETA)-D-GLYCOPYRANOSIDURONIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260122 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2479-90-5
  • Purity/Analytical Methods: >99.0%
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2479-90-5 / (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid

Standard CAS: 2479-90-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2479-90-5
Multi CAS
Yes
Molecular Formula
C24H30O8
Molecular Weight
446.500000
Exact Mass
446.194068
InChI
InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1
InChIKey
FJAZVHYPASAQKM-JBAURARKSA-N

Physical Properties

Melting Point
254.5 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
4
Molar refractivity
111.01
TPSA
133.52

LogP / Solubility

WLOGP
1.38
MLOGP
1.25
XLogP3
1.6
Consensus LogP
1.41
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8

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