U 75412E
TL;DR: U 75412E (CAS 130590-09-9) is a chemical compound with molecular formula C37H48N4O6 and molecular weight 644.35736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-but-2-enedioic acid;(8S,10S,13S,14S,16R,17S)-17-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: U 75412E, U-75412E, Pregna-1,4,9(11)-triene-3,20-dione, 21-(4-(3-(ethylamino)-2-pyridinyl)-1-piperazinyl)-16-methyl-, (16alpha)-, (Z)-2-butenedioate (1:1), (Z)-But-2-enedioic acid;(8S,10S,13S,14S,16R,17S)-17-[2-[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one, (Z)-but-2-enedioic acid; (8S,10S,13S,14S,16R,17S)-17-[2-[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Technical Specifications
| Molecular Formula | C37H48N4O6 |
| Molecular Weight | 644.35736 g/mol |
| XLogP | 5.0065 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 644.35736 Da |
| Heavy Atoms | 47 |
| Complexity | 1190.0 |
| SMILES | CCNC1=C(N=CC=C1)N2CCN(CC2)CC(=O)[C@H]3[C@@H](C[C@@H]4[C@@]3(CC=C5[C@H]4CCC6=CC(=O)C=C[C@@]65C)C)C.C(=C\C(=O)O)\C(=O)O |
| InChIKey | XNDQWPIMUDVRGY-IBFSQUBVSA-N |
Chemical Property Profile of U 75412E
Property Insights of U 75412E
The XLogP value of 5.0065 indicates that U 75412E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting U 75412E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, U 75412E has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of U 75412E?
The CAS number of U 75412E is 130590-09-9.
What is the molecular formula of U 75412E?
The molecular formula of U 75412E is C37H48N4O6.
What is the molecular weight of U 75412E?
The molecular weight of U 75412E is 644.35736 g/mol.
Where can I buy U 75412E?
You can request a quote for U 75412E directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for U 75412E?
Yes, CoreyChem provides custom synthesis services for U 75412E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.