CAS RN: 1276433-89-6
Adapalene-d3
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.20260605 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1276433-89-6
- Purity/Analytical Methods: >99.0%
1276433-89-6 / 6-[3-(1-adamantyl)-4-(trideuteriomethoxy)phenyl]naphthalene-2-carboxylic acid
Basic Information
CAS
1276433-89-6
Multi CAS
No
Molecular Formula
C28H28O3
Molecular Weight
415.500000
Exact Mass
415.222675
SMILES
[2H]C([2H])([2H])OC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)/i1D3
InChIKey
LZCDAPDGXCYOEH-FIBGUPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.39
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
122.75
TPSA
46.53
LogP / Solubility
WLOGP
6.68
MLOGP
5.91
XLogP3
7.7
Consensus LogP
6.76
Log S (ESOL)
-6.72
Class (ESOL)
Insoluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
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)
-0.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H361d (100%): Suspected of damaging the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501
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