![(6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate structure](/static/products/5802/58028-07-2.webp)
(6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate
TL;DR: (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate (CAS 58028-07-2) is a chemical compound with molecular formula C28H34N2O2 and molecular weight 430.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate
Also Known As: (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate, 6b-Cyano-4a,6a-dimethyl-7-phenyl-1,2,3,4,4a,4b,5,6,6a,6b,7,7a,8,8a,8b,9-hexadecahydronaphtho[2',1':4,5]indeno[1,2-b]azirin-2-yl acetate
| Molecular Formula | C28H34N2O2 |
|---|---|
| Molecular Weight | 430.26 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.26202 |
| Heavy Atoms | 32 |
| Complexity | 896.0 |
Chemical Identifiers
| CAS Number | 58028-07-2 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5C4(N5C6=CC=CC=C6)C#N)C)C |
| InChIKey | DJHLDAFCPAEUNN-UHFFFAOYSA-N |
Product Overview
(6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate (CAS 58028-07-2), with molecular formula C28H34N2O2 and molecular weight 430.26 g/mol. IUPAC: (6-cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate.
Chemical Property Profile of (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate
Property Insights of (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate
The XLogP value of 5.5 indicates that (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate?
The CAS number of (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate is 58028-07-2.
What is the molecular formula of (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate?
The molecular formula of (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate is C28H34N2O2.
What is the molecular weight of (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate?
The molecular weight of (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate is 430.26 g/mol.
Where can I buy (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate?
You can request a quote for (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (6-Cyano-7,11-dimethyl-5-phenyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.