![[13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate structure](/static/products/5419/54196-23-5.webp)
[13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate
TL;DR: [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate (CAS 54196-23-5) is a chemical compound with molecular formula C29H46N4O2 and molecular weight 482.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[13,17-dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate
Also Known As: [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate|12a,14a-Dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,9,10,11,12,12a,12b,13,14,14a-tetradecahydroindeno[5,4-a]tetrazolo[1,5-c][3]benzazepin-10-yl acetate
| Molecular Formula | C29H46N4O2 |
|---|---|
| Molecular Weight | 482.36 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.3621 |
| Heavy Atoms | 35 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 54196-23-5 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2N4C(=NN=N4)C=C5C3(CCC(C5)OC(=O)C)C)C |
| InChIKey | ZXAUFNUYWJIBCO-UHFFFAOYSA-N |
Product Overview
[13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate (CAS 54196-23-5), with molecular formula C29H46N4O2 and molecular weight 482.36 g/mol. IUPAC: [13,17-dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate.
Chemical Property Profile of [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate
Property Insights of [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate
The XLogP value of 7.5 indicates that [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate. Following Lipinski's Rule of Five, [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate?
The CAS number of [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate is 54196-23-5.
What is the molecular formula of [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate?
The molecular formula of [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate is C29H46N4O2.
What is the molecular weight of [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate?
The molecular weight of [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate is 482.36 g/mol.
Where can I buy [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate?
You can request a quote for [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [13,17-Dimethyl-18-(6-methylheptan-2-yl)-2,3,4,5-tetrazapentacyclo[12.7.0.02,6.08,13.017,21]henicosa-3,5,7-trien-10-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.