![CAS 874745-43-4 (6aR,10aR)-3-(6-imidazol-1-yl-2-methylhexan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol:hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/874745-43-4.gif)
CAS RN: 874745-43-4
(6aR,10aR)-3-(6-imidazol-1-yl-2-methylhexan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol:hydrochloride
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.20260604 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS874745-43-4
- Purity/Analytical Methods: >99.0%
874745-43-4 / (6aR,10aR)-3-(6-imidazol-1-yl-2-methylhexan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;hydrochloride
Basic Information
CAS
874745-43-4
Multi CAS
Yes
Molecular Formula
C26H37CLN2O2
Molecular Weight
445.000000
Exact Mass
444.254356
InChI
InChI=1S/C26H36N2O2.ClH/c1-18-8-9-21-20(14-18)24-22(29)15-19(16-23(24)30-26(21,4)5)25(2,3)10-6-7-12-28-13-11-27-17-28;/h8,11,13,15-17,20-21,29H,6-7,9-10,12,14H2,1-5H3;1H/t20-,21-;/m1./s1
InChIKey
LSHUCXYFAOTXLT-MUCZFFFMSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
11
Fraction Csp3
0.58
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
128.39
TPSA
47.28
LogP / Solubility
WLOGP
6.77
MLOGP
5.99
XLogP3
6.77
Consensus LogP
6.51
Log S (ESOL)
-6.73
Class (ESOL)
Insoluble
Log S (Ali)
-8.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.89
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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