16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate
TL;DR: 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate (CAS 1033836-27-9) is a chemical compound with molecular formula C28H41N3O2 and molecular weight 451.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S,16R)-16-imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: NCI60_031759, [(8R,9S,10R,13S,14S,16R)-16-imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate, 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate
| Molecular Formula | C28H41N3O2 |
|---|---|
| Molecular Weight | 451.32 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.3199 |
| Heavy Atoms | 33 |
| Complexity | 807.0 |
Chemical Identifiers
| CAS Number | 1033836-27-9 |
|---|---|
| SMILES | CC(=O)OC1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)N5CCCC5)C)C)N6C=CN=C6 |
| InChIKey | KZPNCXIHDYJAKC-YNZPPCSWSA-N |
Product Overview
16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate (CAS 1033836-27-9), with molecular formula C28H41N3O2 and molecular weight 451.32 g/mol. IUPAC: [(8R,9S,10R,13S,14S,16R)-16-imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate
Property Insights of 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate
The XLogP value of 4.5 indicates that 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.4 Ų, 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate has 0 hydrogen bond donor(s) and 4 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 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate?
The CAS number of 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate is 1033836-27-9.
What is the molecular formula of 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate?
The molecular formula of 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate is C28H41N3O2.
What is the molecular weight of 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate?
The molecular weight of 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate is 451.32 g/mol.
Where can I buy 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate?
You can request a quote for 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 16I+/--(1H-imidazol-1-yl)-3-(pyrrolidin-1-yl)androst-5-en-17-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.