1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane
TL;DR: 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane (CAS 92531-04-9) is a chemical compound with molecular formula C14H22Cl2N4O4 and molecular weight 380.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-[3,7-diacetyl-5-(3-chloropropanoyl)-1,3,5,7-tetrazocan-1-yl]propan-1-one
Also Known As: 4,7-Phenanthroline,1,3-diphenyl, 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane, BAS 00337697, 1,1'-(3,7-diacetyl-1,3,5,7-tetrazocane-1,5-diyl)bis(3-chloropropan-1-one), 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane #
| Molecular Formula | C14H22Cl2N4O4 |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.1018 |
| Heavy Atoms | 24 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 92531-04-9 |
|---|---|
| SMILES | CC(=O)N1CN(CN(CN(C1)C(=O)CCCl)C(=O)C)C(=O)CCCl |
| InChIKey | ZHTQZYAOOMCQKS-UHFFFAOYSA-N |
Product Overview
1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane (CAS 92531-04-9), with molecular formula C14H22Cl2N4O4 and molecular weight 380.10 g/mol. IUPAC: 3-chloro-1-[3,7-diacetyl-5-(3-chloropropanoyl)-1,3,5,7-tetrazocan-1-yl]propan-1-one.
Chemical Property Profile of 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane
Property Insights of 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane
The XLogP value of -0.6 indicates that 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane. Following Lipinski's Rule of Five, 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane has 0 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 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane?
The CAS number of 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane is 92531-04-9.
What is the molecular formula of 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane?
The molecular formula of 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane is C14H22Cl2N4O4.
What is the molecular weight of 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane?
The molecular weight of 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane is 380.10 g/mol.
Where can I buy 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane?
You can request a quote for 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Diacetyl-3,7-bis(3-chloropropanoyl)-1,3,5,7-tetraazocane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.