RefChem:1073503
TL;DR: RefChem:1073503 (CAS 111380-25-7) is a chemical compound with molecular formula C25H30N4O9 and molecular weight 530.2013 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((Z)-but-2-enedioic acid);1-[3-(dimethylamino)propylamino]-4-methyl-5H-pyrido[4,3-b]indol-8-ol
Also Known As: SR 95443A, C17H22N4O.2C4H4O4.1/2H2O, C17-H22-N4-O.2C4-H4-O4.1/2H2-O, 5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4-methyl-, (Z)-2-butenedioate (salt), hydrate (2:4:1), 1-(3-Dimethylaminopropylamino)-8-hydroxy-4-methyl-5H-pyrido(4,3-b)indole dimaleate hemihydrate
Technical Specifications
| Molecular Formula | C25H30N4O9 |
| Molecular Weight | 530.2013 g/mol |
| XLogP | 2.51732 |
| Topological Polar Surface Area (TPSA) | 213.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 530.2013 Da |
| Heavy Atoms | 38 |
| Complexity | 484.0 |
| SMILES | CC1=CN=C(C2=C1NC3=C2C=C(C=C3)O)NCCCN(C)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
| InChIKey | IXWODIBBQAQKKK-SPIKMXEPSA-N |
Chemical Property Profile of RefChem:1073503
Property Insights of RefChem:1073503
The XLogP value of 2.51732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073503. The TPSA of 213.0 Ų indicates high polarity, suggesting RefChem:1073503 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1073503 has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1073503?
The CAS number of RefChem:1073503 is 111380-25-7.
What is the molecular formula of RefChem:1073503?
The molecular formula of RefChem:1073503 is C25H30N4O9.
What is the molecular weight of RefChem:1073503?
The molecular weight of RefChem:1073503 is 530.2013 g/mol.
Where can I buy RefChem:1073503?
You can request a quote for RefChem:1073503 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1073503?
Yes, CoreyChem provides custom synthesis services for RefChem:1073503 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.