17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate
TL;DR: 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate (CAS 96478-86-3) is a chemical compound with molecular formula C28H44N2O2 and molecular weight 440.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S)-10,13-dimethyl-17-(3-pyrrolidin-1-ylpropylimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate, ANDROST-5-EN-3-OL, 17-((3-(1-PYRROLIDINYL)PROPYL)IMINO)-, 3-ACETATE, 17-[[3-(1-Pyrrolidinyl)propyl]imino]androst-5-en-3-ol acetate, (3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-1-{[3-(pyrrolidin-1-yl)propyl]imino}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate, [(8R,9S,10R,13S,14S)-10,13-dimethyl-17-(3-pyrrolidin-1-ylpropylimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C28H44N2O2 |
|---|---|
| Molecular Weight | 440.34 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.34027 |
| Heavy Atoms | 32 |
| Complexity | 782.0 |
Chemical Identifiers
| CAS Number | 96478-86-3 |
|---|---|
| SMILES | CC(=O)OC1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=NCCCN5CCCC5)C)C |
| InChIKey | GHSYWLKHFMASTM-OTWLNNNSSA-N |
Product Overview
17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate (CAS 96478-86-3), with molecular formula C28H44N2O2 and molecular weight 440.34 g/mol. IUPAC: [(8R,9S,10R,13S,14S)-10,13-dimethyl-17-(3-pyrrolidin-1-ylpropylimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate
Property Insights of 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate
The XLogP value of 4.8 indicates that 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-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 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate?
The CAS number of 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate is 96478-86-3.
What is the molecular formula of 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate?
The molecular formula of 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate is C28H44N2O2.
What is the molecular weight of 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate?
The molecular weight of 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate is 440.34 g/mol.
Where can I buy 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate?
You can request a quote for 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for 17-((3-(1-Pyrrolidinyl)propyl)imino)androst-5-en-3-ol 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.