![1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate structure](/static/products/7239/7239-39-6.webp)
1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate
TL;DR: 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate (CAS 7239-39-6) is a chemical compound with molecular formula C25H37NO5 and molecular weight 431.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(1-acetyloxyethyl)-6,11-dimethyl-9-oxo-8-azatetracyclo[8.8.0.02,6.011,16]octadec-7-en-14-yl] acetate
Also Known As: 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate
| Molecular Formula | C25H37NO5 |
|---|---|
| Molecular Weight | 431.27 g/mol |
| LogP | 4.3458 |
| Topological Polar Surface Area | 82.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.26718 |
| Heavy Atoms | 31 |
| Complexity | 792.78186 |
Chemical Identifiers
| CAS Number | 7239-39-6 |
|---|---|
| SMILES | CC(C1CCC2C1(C=NC(=O)C3C2CCC4C3(CCC(C4)OC(=O)C)C)C)OC(=O)C |
Product Overview
1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate (CAS 7239-39-6), with molecular formula C25H37NO5 and molecular weight 431.27 g/mol. IUPAC: [5-(1-acetyloxyethyl)-6,11-dimethyl-9-oxo-8-azatetracyclo[8.8.0.02,6.011,16]octadec-7-en-14-yl] acetate.
Chemical Property Profile of 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate
Property Insights of 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate
The XLogP value of 4.3458 indicates that 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate. Following Lipinski's Rule of Five, 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate has 0 hydrogen bond donor(s) and 5 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 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate?
The CAS number of 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate is 7239-39-6.
What is the molecular formula of 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate?
The molecular formula of 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate is C25H37NO5.
What is the molecular weight of 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate?
The molecular weight of 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate is 431.27 g/mol.
Where can I buy 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate?
You can request a quote for 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-[10-(Acetyloxy)-3a,12a-dimethyl-1-oxo-1,3a,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydrocyclopenta[c]naphtho[2,1-e]azepin-4-yl]ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.