![[6-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate structure](/static/products/5802/58028-03-8.webp)
[6-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
TL;DR: [6-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate (CAS 58028-03-8) is a chemical compound with molecular formula C29H36ClNO3 and molecular weight 481.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-acetyl-5-(2-chlorophenyl)-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
Also Known As: [6-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate|6b-Acetyl-7-(2-chlorophenyl)-4a,6a-dimethyl-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 | C29H36ClNO3 |
|---|---|
| Molecular Weight | 481.24 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 46.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 481.23837 |
| Heavy Atoms | 34 |
| Complexity | 932.0 |
Chemical Identifiers
| CAS Number | 58028-03-8 |
|---|---|
| SMILES | CC(=O)C12C(N1C3=CC=CC=C3Cl)CC4C2(CCC5C4CC=C6C5(CCC(C6)OC(=O)C)C)C |
| InChIKey | JHEZFPCFSVHTGX-UHFFFAOYSA-N |
Product Overview
[6-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate (CAS 58028-03-8), with molecular formula C29H36ClNO3 and molecular weight 481.24 g/mol. IUPAC: [6-acetyl-5-(2-chlorophenyl)-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate.
Chemical Property Profile of [6-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
Property Insights of [6-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
The XLogP value of 6.1 indicates that [6-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-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 46.4 Ų, [6-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-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-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-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-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate?
The CAS number of [6-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate is 58028-03-8.
What is the molecular formula of [6-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate?
The molecular formula of [6-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate is C29H36ClNO3.
What is the molecular weight of [6-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate?
The molecular weight of [6-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate is 481.24 g/mol.
Where can I buy [6-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate?
You can request a quote for [6-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-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-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-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-Acetyl-5-(2-chlorophenyl)-7,11-dimethyl-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.