阿达帕林
TL;DR: 阿达帕林 (CAS 106685-40-9) is a chemical compound with molecular formula C28H28O3 and molecular weight 412.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿达帕林
6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
Also Known As: ADAPALENE, Differin, Adapaleno, Adapalenum, Adaferin
| Molecular Formula | C28H28O3 |
|---|---|
| Molecular Weight | 412.20 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.20386 |
| Heavy Atoms | 31 |
| Complexity | 644.0 |
| Melting Point | 300 |
| Boiling Point | 606.3 |
| Solubility | 4.01e-06 g/L |
Chemical Identifiers
| CAS Number | 106685-40-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5 |
| InChIKey | LZCDAPDGXCYOEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿达帕林 (CAS 106685-40-9), with molecular formula C28H28O3 and molecular weight 412.20 g/mol. IUPAC: 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid.
Chemical Property Profile of 阿达帕林
Property Insights of 阿达帕林
The XLogP value of 7.7 indicates that 阿达帕林 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 阿达帕林 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 阿达帕林 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 阿达帕林?
The CAS number of 阿达帕林 is 106685-40-9.
What is the molecular formula of 阿达帕林?
The molecular formula of 阿达帕林 is C28H28O3.
What is the molecular weight of 阿达帕林?
The molecular weight of 阿达帕林 is 412.20 g/mol.
Where can I buy 阿达帕林?
You can request a quote for 阿达帕林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿达帕林?
Yes, KEHONG BIO provides custom synthesis services for 阿达帕林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.