2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine
TL;DR: 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine (CAS 78554-68-4) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-amine
Also Known As: 4-Aminobenzo-12-crown-4, 2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine, 2,3,5,6,8,9-Hexahydrobenzo[b][1,4,7,10]tetraoxacyclododecin-12-amine, J1.055.394F, 2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-amine
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 78554-68-4 |
|---|---|
| SMILES | C1COCCOC2=C(C=CC(=C2)N)OCCO1 |
| InChIKey | ZKICIJKRTPWQSI-UHFFFAOYSA-N |
Product Overview
2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine (CAS 78554-68-4), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: 2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-amine.
Chemical Property Profile of 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine
Property Insights of 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine
The XLogP value of -0.1 indicates that 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine. Following Lipinski's Rule of Five, 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine has 1 hydrogen bond donor(s) and 5 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 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine?
The CAS number of 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine is 78554-68-4.
What is the molecular formula of 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine?
The molecular formula of 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine is C12H17NO4.
What is the molecular weight of 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine?
The molecular weight of 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine is 239.12 g/mol.
Where can I buy 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine?
You can request a quote for 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.