Homo-aza-steroidal ester
TL;DR: Homo-aza-steroidal ester (CAS 131959-74-5) is a chemical compound with molecular formula C33H48Cl2N2O3 and molecular weight 590.3042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2R,8R,11R,12S,15S,16S)-2,16-dimethyl-5-oxo-6-azatetracyclo[9.7.0.02,8.012,16]octadecan-15-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Also Known As: Homo-aza-steroidal ester, Octanedioic acid,2-amino-,8-methyl ester, 17beta-Hydroxy-4-aza-A-homo-5alpha-androstan-3-one p-(N,N-bis(2-chloroethyl)amino)phenylbutyrate, 4-Aza-A-homoandrostan-3-one, 17-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-, (5alpha,17beta)-, [dimethyl(oxo)[?]yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Technical Specifications
| Molecular Formula | C33H48Cl2N2O3 |
| Molecular Weight | 590.3042 g/mol |
| XLogP | 7.3 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 590.3042 Da |
| Heavy Atoms | 40 |
| Complexity | 874.0 |
| SMILES | C[C@]12CCC(=O)NC[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)CCCC5=CC=C(C=C5)N(CCCl)CCCl)C |
| InChIKey | HYLPWZVQLIFGBY-GFYOBVKKSA-N |
Chemical Property Profile of Homo-aza-steroidal ester
Property Insights of Homo-aza-steroidal ester
The XLogP value of 7.3 indicates that Homo-aza-steroidal ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Homo-aza-steroidal ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Homo-aza-steroidal ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Homo-aza-steroidal ester?
The CAS number of Homo-aza-steroidal ester is 131959-74-5.
What is the molecular formula of Homo-aza-steroidal ester?
The molecular formula of Homo-aza-steroidal ester is C33H48Cl2N2O3.
What is the molecular weight of Homo-aza-steroidal ester?
The molecular weight of Homo-aza-steroidal ester is 590.3042 g/mol.
Where can I buy Homo-aza-steroidal ester?
You can request a quote for Homo-aza-steroidal ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Homo-aza-steroidal ester?
Yes, CoreyChem provides custom synthesis services for Homo-aza-steroidal ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.