類A酸
TL;DR: 類A酸 (CAS 55079-83-9) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
類A酸
9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Also Known As: Acitretin, Isoacitretin, Etretin, 9-cis Acitretin, 9-cis-Acitretin
| Molecular Formula | C21H26O3 |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.1882 |
| Heavy Atoms | 24 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 55079-83-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C=CC(=CC=CC(=CC(=O)O)C)C)C)C)OC |
| InChIKey | IHUNBGSDBOWDMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
類A酸 (CAS 55079-83-9), with molecular formula C21H26O3 and molecular weight 326.19 g/mol. IUPAC: 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid.
Chemical Property Profile of 類A酸
Property Insights of 類A酸
The XLogP value of 6.1 indicates that 類A酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 類A酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 類A酸 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 類A酸?
The CAS number of 類A酸 is 55079-83-9.
What is the molecular formula of 類A酸?
The molecular formula of 類A酸 is C21H26O3.
What is the molecular weight of 類A酸?
The molecular weight of 類A酸 is 326.19 g/mol.
Where can I buy 類A酸?
You can request a quote for 類A酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 類A酸?
Yes, KEHONG BIO provides custom synthesis services for 類A酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.