RefChem:1057642
TL;DR: RefChem:1057642 (CAS 137866-27-4) is a chemical compound with molecular formula C32H44Cl2N2O3 and molecular weight 574.2729 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[4-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
Also Known As: (3beta,5alpha)-3-((3-(4-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one, 17a-Aza-D-homoandrostan-17-one, 3-((3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-, (3-beta,5-alpha)-, [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[4-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate, BRN 4829672
Technical Specifications
| Molecular Formula | C32H44Cl2N2O3 |
| Molecular Weight | 574.2729 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 574.2729 Da |
| Heavy Atoms | 39 |
| Complexity | 900.0 |
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)/C=C/C5=CC=C(C=C5)N(CCCl)CCCl |
| InChIKey | ISFVVUJZGURXEK-GCYLSWOGSA-N |
Chemical Property Profile of RefChem:1057642
Property Insights of RefChem:1057642
The XLogP value of 7.1 indicates that RefChem:1057642 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, RefChem:1057642 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057642 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 RefChem:1057642?
The CAS number of RefChem:1057642 is 137866-27-4.
What is the molecular formula of RefChem:1057642?
The molecular formula of RefChem:1057642 is C32H44Cl2N2O3.
What is the molecular weight of RefChem:1057642?
The molecular weight of RefChem:1057642 is 574.2729 g/mol.
Where can I buy RefChem:1057642?
You can request a quote for RefChem:1057642 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1057642?
Yes, CoreyChem provides custom synthesis services for RefChem:1057642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.