AA 1777
TL;DR: AA 1777 (CAS 90316-11-3) is a chemical compound with molecular formula C21H24O4 and molecular weight 340.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)dodeca-2,7-diynoic acid
Also Known As: 2,3,5-Trimethyl-6-(11-carboxy-5,10-undecadiynyl)-1,4-benzoquinone, 12-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)dodeca-2,7-diynoic acid, 2,7-Dodecadiynoic acid, 12-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-, 6-(11-Carboxyundeca-5,10-diyn-1-yl)-2,3,5-trimethyl-1,4-benzoquinone, 2,7-Dodecadiynoic acid,12-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)
| Molecular Formula | C21H24O4 |
|---|---|
| Molecular Weight | 340.17 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.16745 |
| Heavy Atoms | 25 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 90316-11-3 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CC(=O)O)C |
| InChIKey | SOXDIYGAYKFKPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AA 1777 (CAS 90316-11-3), with molecular formula C21H24O4 and molecular weight 340.17 g/mol. IUPAC: 12-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)dodeca-2,7-diynoic acid.
Chemical Property Profile of AA 1777
Property Insights of AA 1777
The XLogP value of 4.5 indicates that AA 1777 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AA 1777. Following Lipinski's Rule of Five, AA 1777 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AA 1777?
The CAS number of AA 1777 is 90316-11-3.
What is the molecular formula of AA 1777?
The molecular formula of AA 1777 is C21H24O4.
What is the molecular weight of AA 1777?
The molecular weight of AA 1777 is 340.17 g/mol.
Where can I buy AA 1777?
You can request a quote for AA 1777 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AA 1777?
Yes, KEHONG BIO provides custom synthesis services for AA 1777 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.