RefChem:1073504
TL;DR: RefChem:1073504 (CAS 111380-30-4) is a chemical compound with molecular formula C26H32N4O9 and molecular weight 544.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);1-[3-(dimethylamino)propylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol
Also Known As: SR 95647A, C18H24N4O.2C4H4O4.1/2H2O, C18-H24-N4-O.2C4-H4-O4.1/2H2-O, 5H-Pyrido(4,3-b)indol-8-ol, 4,5-dimethyl-1-((3-(dimethylamino)propyl)amino)-, (Z)-2-butenedioate (salt), hydrate (2:4:1), (Z)-but-2-enedioic acid; 1-[3-(dimethylamino)propylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol
| Molecular Formula | C26H32N4O9 |
|---|---|
| Molecular Weight | 544.22 g/mol |
| LogP | 2.52772 |
| Topological Polar Surface Area | 202.52 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 544.2169 |
| Heavy Atoms | 39 |
| Complexity | 1325.3278 |
Chemical Identifiers
| CAS Number | 111380-30-4 |
|---|---|
| SMILES | CC1=CN=C(C2=C1N(C3=C2C=C(C=C3)O)C)NCCCN(C)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1073504 (CAS 111380-30-4), with molecular formula C26H32N4O9 and molecular weight 544.22 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);1-[3-(dimethylamino)propylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol.
Chemical Property Profile of RefChem:1073504
Property Insights of RefChem:1073504
The XLogP value of 2.52772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073504. The TPSA of 202.52 Ų indicates high polarity, suggesting RefChem:1073504 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1073504 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1073504?
The CAS number of RefChem:1073504 is 111380-30-4.
What is the molecular formula of RefChem:1073504?
The molecular formula of RefChem:1073504 is C26H32N4O9.
What is the molecular weight of RefChem:1073504?
The molecular weight of RefChem:1073504 is 544.22 g/mol.
Where can I buy RefChem:1073504?
You can request a quote for RefChem:1073504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073504?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.