![CAS 35048-47-6 1,3,5[10]-ESTRATRIENE-3,17-DIOL-6-ONE 6-[O-CARBOXYMETHYL]OXIME molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/35048-47-6.gif)
CAS RN: 35048-47-6
1,3,5[10]-ESTRATRIENE-3,17-DIOL-6-ONE 6-[O-CARBOXYMETHYL]OXIME
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260505 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong | 15 business days | Inquiry |
- Product code: starshine_CAS35048-47-6
- Purity/Analytical Methods: >99.0%
35048-47-6 / 2-[(3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene)amino]oxyacetic acid
Basic Information
CAS
35048-47-6
Multi CAS
Yes
Molecular Formula
C20H25NO5
Molecular Weight
359.400000
Exact Mass
359.173273
InChI
InChI=1S/C20H25NO5/c1-20-7-6-13-12-3-2-11(22)8-15(12)17(21-26-10-19(24)25)9-14(13)16(20)4-5-18(20)23/h2-3,8,13-14,16,18,22-23H,4-7,9-10H2,1H3,(H,24,25)
InChIKey
AWARIMYXKAIIGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
95.15
TPSA
99.35
LogP / Solubility
WLOGP
2.87
MLOGP
2.55
XLogP3
3
Consensus LogP
2.81
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.87
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
5.5
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