![5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone structure](/static/products/3197/31971-25-2.webp)
5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone
TL;DR: 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone (CAS 31971-25-2) is a chemical compound with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,12-dibutyl-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
Also Known As: 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone, 2,6-dibutyl-octahydro-4,8-etheno-pyrrolo[3',4':3,4]cyclobuta, 2,6-dibutyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone, 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
| Molecular Formula | C22H28N2O4 |
|---|---|
| Molecular Weight | 384.20 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.2049 |
| Heavy Atoms | 28 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 31971-25-2 |
|---|---|
| SMILES | CCCCN1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)CCCC |
| InChIKey | CQTGTFWTWVGWGS-UHFFFAOYSA-N |
Product Overview
5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone (CAS 31971-25-2), with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol. IUPAC: 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone.
Chemical Property Profile of 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone
Property Insights of 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone. Following Lipinski's Rule of Five, 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone 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 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone?
The CAS number of 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone is 31971-25-2.
What is the molecular formula of 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone?
The molecular formula of 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone is C22H28N2O4.
What is the molecular weight of 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone?
The molecular weight of 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone is 384.20 g/mol.
Where can I buy 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone?
You can request a quote for 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 5,12-dibutyl-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.