米托蒽醌羧酸
TL;DR: 米托蒽醌羧酸 (CAS 97729-56-1) is a chemical compound with molecular formula C22H26N4O7 and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
米托蒽醌羧酸
2-[2-[[5,8-dihydroxy-4-[2-(2-hydroxyethylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]acetic acid
Also Known As: Mitoxantrone carboxylic acid, Mitoxantrone monocarboxylic acid, 2-[2-[[5,8-dihydroxy-4-[2-(2-hydroxyethylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]acetic acid, Glycine, N-(2-((9,10-dihydro-5,8-dihydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-9,10-dioxo-1-anthracenyl)amino)ethyl)-, 2-[(2-{[5,8-DIHYDROXY-4-({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-DIOXO-9,10-DIHYDROANTHRACEN-1-YL]AMINO}ETHYL)AMINO]ACETIC ACID
| Molecular Formula | C22H26N4O7 |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 458.18015 |
| Heavy Atoms | 33 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 97729-56-1 |
|---|---|
| SMILES | C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCC(=O)O |
| InChIKey | ATIAHAUGEJHHNT-UHFFFAOYSA-N |
Product Overview
米托蒽醌羧酸 (CAS 97729-56-1), with molecular formula C22H26N4O7 and molecular weight 458.18 g/mol. IUPAC: 2-[2-[[5,8-dihydroxy-4-[2-(2-hydroxyethylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]acetic acid.
Chemical Property Profile of 米托蒽醌羧酸
Property Insights of 米托蒽醌羧酸
The XLogP value of -1.0 indicates that 米托蒽醌羧酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.0 Ų indicates high polarity, suggesting 米托蒽醌羧酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 米托蒽醌羧酸 has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 米托蒽醌羧酸?
The CAS number of 米托蒽醌羧酸 is 97729-56-1.
What is the molecular formula of 米托蒽醌羧酸?
The molecular formula of 米托蒽醌羧酸 is C22H26N4O7.
What is the molecular weight of 米托蒽醌羧酸?
The molecular weight of 米托蒽醌羧酸 is 458.18 g/mol.
Where can I buy 米托蒽醌羧酸?
You can request a quote for 米托蒽醌羧酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 米托蒽醌羧酸?
Yes, KEHONG BIO provides custom synthesis services for 米托蒽醌羧酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.