CAS RN: 2055073-72-6
Rauvovertine B
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.20251224 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2055073-72-6
- Purity/Analytical Methods: >99.0%
2055073-72-6 / 21-methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5(10),6,8-tetraene-7,17-diol
Basic Information
CAS
2055073-72-6
Multi CAS
No
Molecular Formula
C19H22N2O3
Molecular Weight
326.400000
Exact Mass
326.163043
SMILES
CC1C2COC(C3C2CC4N1C3CC5=C4NC6=C5C=C(C=C6)O)O
InChI
InChI=1S/C19H22N2O3/c1-8-13-7-24-19(23)17-11(13)5-16-18-12(6-15(17)21(8)16)10-4-9(22)2-3-14(10)20-18/h2-4,8,11,13,15-17,19-20,22-23H,5-7H2,1H3
InChIKey
YQFGLJJOGMUWSM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.58
H-bond acceptors
4
H-bond donors
3
Molar refractivity
88.54
TPSA
68.72
LogP / Solubility
WLOGP
2.14
MLOGP
1.9
XLogP3
1.9
Consensus LogP
1.98
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
10
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