![9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate structure](/static/products/7224/7224-47-7.webp)
9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate
TL;DR: 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate (CAS 7224-47-7) is a chemical compound with molecular formula C29H48N2O4 and molecular weight 488.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,16-dimethyl-15-(6-methylheptan-2-yl)-8-nitro-8-azapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate
Also Known As: 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate
| Molecular Formula | C29H48N2O4 |
|---|---|
| Molecular Weight | 488.36 g/mol |
| LogP | 6.6478 |
| Topological Polar Surface Area | 72.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.36142 |
| Heavy Atoms | 35 |
| Complexity | 861.6198 |
Chemical Identifiers
| CAS Number | 7224-47-7 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC4C5(C3(CCC(C5)OC(=O)C)C)N4[N+](=O)[O-])C |
Product Overview
9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate (CAS 7224-47-7), with molecular formula C29H48N2O4 and molecular weight 488.36 g/mol. IUPAC: [2,16-dimethyl-15-(6-methylheptan-2-yl)-8-nitro-8-azapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate.
Chemical Property Profile of 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate
Property Insights of 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate
The XLogP value of 6.6478 indicates that 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate. Following Lipinski's Rule of Five, 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-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 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate?
The CAS number of 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate is 7224-47-7.
What is the molecular formula of 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate?
The molecular formula of 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate is C29H48N2O4.
What is the molecular weight of 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate?
The molecular weight of 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate is 488.36 g/mol.
Where can I buy 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate?
You can request a quote for 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 9a,11b-Dimethyl-9-(6-methylheptan-2-yl)-5-nitrohexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]azirin-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.