7-hydroxyethyltheophylline monosuccinate ester heptaminol salt
TL;DR: 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt (CAS 80440-70-6) is a chemical compound with molecular formula C21H35N5O7 and molecular weight 469.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-methylheptan-2-ol;4-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethoxy]-4-oxobutanoic acid
Also Known As: Heptaminol salt of monosuccinate ester of 7-hydroxyethyltheophylline, 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt, Sel d'heptaminol du mono ester succinique de l'hydroxyethyl-7 theophylline [French], Sel d'heptaminol du mono ester succinique de l'hydroxyethyl-7 theophylline, Butanedioic acid, mono(2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl ester,compd. with 6-amino-2-methyl-2-heptanol (1:1)
| Molecular Formula | C21H35N5O7 |
|---|---|
| Molecular Weight | 469.25 g/mol |
| LogP | 0.1165 |
| Topological Polar Surface Area | 171.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 469.25366 |
| Heavy Atoms | 33 |
| Complexity | 1059.8538 |
Chemical Identifiers
| CAS Number | 80440-70-6 |
|---|---|
| SMILES | CC(CCCC(C)(C)O)N.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)CCC(=O)O |
Product Overview
7-hydroxyethyltheophylline monosuccinate ester heptaminol salt (CAS 80440-70-6), with molecular formula C21H35N5O7 and molecular weight 469.25 g/mol. IUPAC: 6-amino-2-methylheptan-2-ol;4-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethoxy]-4-oxobutanoic acid.
Chemical Property Profile of 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt
Property Insights of 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt
The XLogP value of 0.1165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt. The TPSA of 171.67 Ų indicates high polarity, suggesting 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt?
The CAS number of 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt is 80440-70-6.
What is the molecular formula of 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt?
The molecular formula of 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt is C21H35N5O7.
What is the molecular weight of 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt?
The molecular weight of 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt is 469.25 g/mol.
Where can I buy 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt?
You can request a quote for 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt?
Yes, KEHONG BIO provides custom synthesis services for 7-hydroxyethyltheophylline monosuccinate ester heptaminol salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.