CAS RN: 1794752-24-1
AMbroxol EP IMpurity B-d5 Dihydrochloride
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.20251020 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1794752-24-1
- Purity/Analytical Methods: >99.0%
1794752-24-1 / 1,2,2,6,6-pentadeuterio-4-(6,8-dibromo-2,4-dihydro-1H-quinazolin-3-yl)cyclohexan-1-ol
Basic Information
CAS
1794752-24-1
Multi CAS
No
Molecular Formula
C14H18Br2N2O
Molecular Weight
395.140000
Exact Mass
395.007920
SMILES
[2H]C1(CC(CC(C1([2H])O)([2H])[2H])N2CC3=C(C(=CC(=C3)Br)Br)NC2)[2H]
InChI
InChI=1S/C14H18Br2N2O/c15-10-5-9-7-18(8-17-14(9)13(16)6-10)11-1-3-12(19)4-2-11/h5-6,11-12,17,19H,1-4,7-8H2/i3D2,4D2,12D
InChIKey
AJOQVCHLLULVGK-KKMRROIFSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
84.14
TPSA
35.5
LogP / Solubility
WLOGP
3.7
MLOGP
3.28
XLogP3
3.6
Consensus LogP
3.53
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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