CAS RN: 911110-93-5
Adapalene (sodiuM salt)
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.20250612 | 50mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS911110-93-5
- Purity/Analytical Methods: >99.0%
911110-93-5 / sodium 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylate
Basic Information
CAS
911110-93-5
Multi CAS
Yes
Molecular Formula
C28H27NAO3
Molecular Weight
434.500000
Exact Mass
434.185789
InChI
InChI=1S/C28H28O3.Na/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);/q;+1/p-1
InChIKey
ZETRSPVFAAAMSF-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.39
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
120.12
TPSA
49.36
LogP / Solubility
WLOGP
2.35
MLOGP
2.1
XLogP3
2.35
Consensus LogP
2.27
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5
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