3-Admao
TL;DR: 3-Admao (CAS 9017-68-9) is a chemical compound with molecular formula C22H30Cl2O3 and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-dichloro-10,13-dimethyl-2-methylidene-17-oxo-1,3,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 3-Admao, KST-1A8792, 3beta-Acetoxy-5,6beta-dichloromethylene-5beta-androstan-17-one, 5,6-Dichloro-2-methylidene-17-oxoandrostan-3-yl acetate, (3
| Molecular Formula | C22H30Cl2O3 |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.1572 |
| Heavy Atoms | 27 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 9017-68-9 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@]2([C@@H](C[C@H]3[C@@H]4CCC(=O)[C@]4(CC[C@@H]3[C@]2(CC1=C)C)C)Cl)Cl |
| InChIKey | FJPIHKZAAPQDLP-RLEXBPSYSA-N |
Product Overview
3-Admao (CAS 9017-68-9), with molecular formula C22H30Cl2O3 and molecular weight 412.16 g/mol. IUPAC: [(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-dichloro-10,13-dimethyl-2-methylidene-17-oxo-1,3,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 3-Admao
Property Insights of 3-Admao
The XLogP value of 4.4 indicates that 3-Admao is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Admao exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Admao has 0 hydrogen bond donor(s) and 3 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 3-Admao?
The CAS number of 3-Admao is 9017-68-9.
What is the molecular formula of 3-Admao?
The molecular formula of 3-Admao is C22H30Cl2O3.
What is the molecular weight of 3-Admao?
The molecular weight of 3-Admao is 412.16 g/mol.
Where can I buy 3-Admao?
You can request a quote for 3-Admao directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Admao?
Yes, KEHONG BIO provides custom synthesis services for 3-Admao and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.