![[6-Acetyl-7,11-dimethyl-5-(4-methylphenyl)-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate structure](/static/products/5802/58028-04-9.webp)
[6-Acetyl-7,11-dimethyl-5-(4-methylphenyl)-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
TL;DR: [6-Acetyl-7,11-dimethyl-5-(4-methylphenyl)-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate (CAS 58028-04-9) is a chemical compound with molecular formula C30H39NO3 and molecular weight 461.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-acetyl-7,11-dimethyl-5-(4-methylphenyl)-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
Also Known As: [6-Acetyl-7,11-dimethyl-5-(4-methylphenyl)-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate|6b-Acetyl-4a,6a-dimethyl-7-(4-methylphenyl)-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 | C30H39NO3 |
|---|---|
| Molecular Weight | 461.29 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 46.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.293 |
| Heavy Atoms | 34 |
| Complexity | 918.0 |
Chemical Identifiers
| CAS Number | 58028-04-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3C2(C4(CCC5C(C4C3)CC=C6C5(CCC(C6)OC(=O)C)C)C)C(=O)C |
| InChIKey | PXBWYUSSNGEBIU-UHFFFAOYSA-N |
Product Overview
[6-Acetyl-7,11-dimethyl-5-(4-methylphenyl)-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate (CAS 58028-04-9), with molecular formula C30H39NO3 and molecular weight 461.29 g/mol. IUPAC: [6-acetyl-7,11-dimethyl-5-(4-methylphenyl)-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate.
Chemical Property Profile of [6-Acetyl-7,11-dimethyl-5-(4-methylphenyl)-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
Property Insights of [6-Acetyl-7,11-dimethyl-5-(4-methylphenyl)-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
The XLogP value of 5.8 indicates that [6-Acetyl-7,11-dimethyl-5-(4-methylphenyl)-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-7,11-dimethyl-5-(4-methylphenyl)-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-7,11-dimethyl-5-(4-methylphenyl)-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-7,11-dimethyl-5-(4-methylphenyl)-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate?
The CAS number of [6-Acetyl-7,11-dimethyl-5-(4-methylphenyl)-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate is 58028-04-9.
What is the molecular formula of [6-Acetyl-7,11-dimethyl-5-(4-methylphenyl)-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate?
The molecular formula of [6-Acetyl-7,11-dimethyl-5-(4-methylphenyl)-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate is C30H39NO3.
What is the molecular weight of [6-Acetyl-7,11-dimethyl-5-(4-methylphenyl)-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate?
The molecular weight of [6-Acetyl-7,11-dimethyl-5-(4-methylphenyl)-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate is 461.29 g/mol.
Where can I buy [6-Acetyl-7,11-dimethyl-5-(4-methylphenyl)-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-7,11-dimethyl-5-(4-methylphenyl)-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-7,11-dimethyl-5-(4-methylphenyl)-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-7,11-dimethyl-5-(4-methylphenyl)-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.