CAS RN: 651-55-8
estra-1,3,5(10),7-tetraene-3,17alpha-diol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260211 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS651-55-8
- Purity/Analytical Methods: >99.0%
651-55-8 / 13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
Basic Information
CAS
651-55-8
Multi CAS
Yes
Molecular Formula
C18H22O2
Molecular Weight
270.400000
Exact Mass
270.161980
InChI
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3
InChIKey
NLLMJANWPUQQTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
H-bond acceptors
2
H-bond donors
2
Molar refractivity
78.71
TPSA
40.46
LogP / Solubility
WLOGP
3.53
MLOGP
3.11
XLogP3
3.2
Consensus LogP
3.28
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
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)
-1.86
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
4
