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CAS 7698-93-3 beta-Estradiol 17-hemisuccinate molecular structure lightbox
CAS RN: 7698-93-3

beta-Estradiol 17-hemisuccinate

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250605 25mg / 100mg / 250mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS7698-93-3
  • Purity/Analytical Methods: >99.0%
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7698-93-3 / 4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid

Standard CAS: 7698-93-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7698-93-3
Multi CAS
Yes
Molecular Formula
C22H28O5
Molecular Weight
372.500000
Exact Mass
372.193674
InChI
InChI=1S/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19+,22+/m1/s1
InChIKey
YJPIDPAGJSWWBE-FNIAAEIWSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
99.47
TPSA
83.83

LogP / Solubility

WLOGP
4.02
MLOGP
3.56
XLogP3
4
Consensus LogP
3.86
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
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
Yes
Log Kp (skin permeation)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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