2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde
TL;DR: 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde (CAS 84993-16-8) is a chemical compound with molecular formula C13H16O5 and molecular weight 252.10 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-triene-14-carbaldehyde
Also Known As: J1.531.581D, AB01330879-02, 2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde, 1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene-12-carbaldehyde, 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-carbaldehyde
| Molecular Formula | C13H16O5 |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.09978 |
| Heavy Atoms | 18 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 84993-16-8 |
|---|---|
| SMILES | C1COCCOC2=C(C=CC(=C2)C=O)OCCO1 |
| InChIKey | HSVRXUOTAHPEFF-UHFFFAOYSA-N |
Product Overview
2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde (CAS 84993-16-8), with molecular formula C13H16O5 and molecular weight 252.10 g/mol. IUPAC: 2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carbaldehyde.
Chemical Property Profile of 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde
Property Insights of 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde. With a topological polar surface area (TPSA) of 54.0 Ų, 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde has 0 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-benzotetraoxacyclododecine-12-carbaldehyde?
The CAS number of 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde is 84993-16-8.
What is the molecular formula of 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde?
The molecular formula of 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde is C13H16O5.
What is the molecular weight of 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde?
The molecular weight of 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde is 252.10 g/mol.
Where can I buy 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde?
You can request a quote for 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde 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-benzotetraoxacyclododecine-12-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.