4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid
TL;DR: 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid (CAS 131206-65-0) is a chemical compound with molecular formula C26H27N3O2 and molecular weight 413.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-azido-1,5,5,8,8-pentamethyl-6,7-dihydroanthracen-2-yl)benzoic acid
Also Known As: 4-Attab, 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid, 4-(4-azido-1,5,5,8,8-pentamethyl-6,7-dihydroanthracen-2-yl)benzoic acid, Benzoic acid,4-(4-azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)-, 4-(4-AZIDO-1,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDROANTHRACEN-2-YL)BENZOIC ACID
| Molecular Formula | C26H27N3O2 |
|---|---|
| Molecular Weight | 413.21 g/mol |
| LogP | 7.80422 |
| Topological Polar Surface Area | 86.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.21033 |
| Heavy Atoms | 31 |
| Complexity | 1264.292 |
Chemical Identifiers
| CAS Number | 131206-65-0 |
|---|---|
| SMILES | CC1=C(C=C(C2=CC3=C(C=C12)C(CCC3(C)C)(C)C)N=[N+]=[N-])C4=CC=C(C=C4)C(=O)O |
Product Overview
4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid (CAS 131206-65-0), with molecular formula C26H27N3O2 and molecular weight 413.21 g/mol. IUPAC: 4-(4-azido-1,5,5,8,8-pentamethyl-6,7-dihydroanthracen-2-yl)benzoic acid.
Chemical Property Profile of 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid
Property Insights of 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid
The XLogP value of 7.80422 indicates that 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid. Following Lipinski's Rule of Five, 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid?
The CAS number of 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid is 131206-65-0.
What is the molecular formula of 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid?
The molecular formula of 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid is C26H27N3O2.
What is the molecular weight of 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid?
The molecular weight of 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid is 413.21 g/mol.
Where can I buy 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid?
You can request a quote for 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Azido-5,6,7,8-tetrahydro-1,5,5,8,8-pentamethyl-2-anthracenyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.