(E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one
TL;DR: (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one (CAS 501079-20-5) is a chemical compound with molecular formula C20H30ClNO and molecular weight 335.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E,3aS,3bS,5aR,9aR,9bS,11aS)-1-(chloromethylidene)-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
Also Known As: (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one, 2H-Indeno(5,4-f)quinolin-2-one, 7-(chloromethylene)hexadecahydro-1,4a,6a-trimethyl-, (4aR,4bS,6aS,7E,9aS,9bS,11aR)-, (4aR,4bS,6aS,9aS,9bS,11aR,E)-7-(chloromethylene)-1,4a,6a-trimethylhexadecahydro-2H-indeno[5,4-f]quinolin-2-one, (E)-17-(CHLOROMETHYLENE)-4-METHYL-4-AZA-5.ALPHA.-ANDROSTAN-3-ONE, (1E,3aS,3bS,5aR,9aR,9bS,11aS)-1-(chloromethylidene)-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
| Molecular Formula | C20H30ClNO |
|---|---|
| Molecular Weight | 335.20 g/mol |
| LogP | 4.9725 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 335.2016 |
| Heavy Atoms | 23 |
| Complexity | 557.8449 |
Chemical Identifiers
| CAS Number | 501079-20-5 |
|---|---|
| SMILES | C[C@]12CCC(=O)N([C@@H]1CC[C@@H]3[C@@H]2CC[C@]\4([C@H]3CC/C4=C\Cl)C)C |
Product Overview
(E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one (CAS 501079-20-5), with molecular formula C20H30ClNO and molecular weight 335.20 g/mol. IUPAC: (1E,3aS,3bS,5aR,9aR,9bS,11aS)-1-(chloromethylidene)-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one.
Chemical Property Profile of (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one
Property Insights of (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one
The XLogP value of 4.9725 indicates that (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one has 0 hydrogen bond donor(s) and 1 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 (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one?
The CAS number of (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one is 501079-20-5.
What is the molecular formula of (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one?
The molecular formula of (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one is C20H30ClNO.
What is the molecular weight of (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one?
The molecular weight of (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one is 335.20 g/mol.
Where can I buy (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one?
You can request a quote for (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-17-(Chloromethylene)-4-methyl-4-aza-5alpha-androstan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.