CAS RN: 2055073-75-9
Rauvovertine A
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.20251116 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2055073-75-9
- Purity/Analytical Methods: >99.0%
2055073-75-9 / 19-methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraene-17,21-diol
Basic Information
CAS
2055073-75-9
Multi CAS
No
Molecular Formula
C19H22N2O3
Molecular Weight
326.400000
Exact Mass
326.163043
SMILES
CC1C2C3CC4C5=C(CC(C3C(O1)O)N4C2O)C6=CC=CC=C6N5
InChI
InChI=1S/C19H22N2O3/c1-8-15-11-7-14-17-10(9-4-2-3-5-12(9)20-17)6-13(21(14)18(15)22)16(11)19(23)24-8/h2-5,8,11,13-16,18-20,22-23H,6-7H2,1H3
InChIKey
AWYNNQCKGSFTMD-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
88.02
TPSA
68.72
LogP / Solubility
WLOGP
1.76
MLOGP
1.56
XLogP3
1.7
Consensus LogP
1.67
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46
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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