![CAS 166990-10-9 [2]Benzopyrano[4,3-a]carbazol-2-ol,1,2,3,4,4a,5,13,13c-octahydro-2,5,5,7-tetramethyl-, (2R,4aS,13cS)-rel-(-)-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/166990-10-9.gif)
CAS RN: 166990-10-9
[2]Benzopyrano[4,3-a]carbazol-2-ol,1,2,3,4,4a,5,13,13c-octahydro-2,5,5,7-tetramethyl-, (2R,4aS,13cS)-rel-(-)-(9CI)
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.20260531 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS166990-10-9
- Purity/Analytical Methods: >99.0%
166990-10-9 / (16R,19S,21R)-12,15,15,19-tetramethyl-14-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11-hexaen-19-ol
Basic Information
CAS
166990-10-9
Multi CAS
No
Molecular Formula
C23H27NO2
Molecular Weight
349.500000
Exact Mass
349.204179
SMILES
CC1=CC2=C(C3=C1OC([C@H]4[C@H]3C[C@@](CC4)(C)O)(C)C)NC5=CC=CC=C52
InChI
InChI=1S/C23H27NO2/c1-13-11-15-14-7-5-6-8-18(14)24-20(15)19-16-12-23(4,25)10-9-17(16)22(2,3)26-21(13)19/h5-8,11,16-17,24-25H,9-10,12H2,1-4H3/t16-,17-,23+/m1/s1
InChIKey
XGSIRVCZJNNOBQ-QZMQVMSPSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
13
Fraction Csp3
0.48
H-bond acceptors
2
H-bond donors
2
Molar refractivity
105.95
TPSA
45.25
LogP / Solubility
WLOGP
5.44
MLOGP
4.8
XLogP3
4.8
Consensus LogP
5.01
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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