1,5-Diazacyclooctane-1,5-diacetic acid
TL;DR: 1,5-Diazacyclooctane-1,5-diacetic acid (CAS 21049-12-7) is a chemical compound with molecular formula C10H18N2O4 and molecular weight 230.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid
Also Known As: 1,5-Diazacyclooctane-1,5-diacetic acid, 2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic Acid, 2,2'-(1,5-diazocane-1,5-diyl)diacetic acid, Tetrahydro-1,5-diazocine-1,5(2H,6H)-diacetic acid
| Molecular Formula | C10H18N2O4 |
|---|---|
| Molecular Weight | 230.13 g/mol |
| LogP | -0.4466 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.12666 |
| Heavy Atoms | 16 |
| Complexity | 223.20358 |
Chemical Identifiers
| CAS Number | 21049-12-7 |
|---|---|
| SMILES | C1CN(CCCN(C1)CC(=O)O)CC(=O)O |
Product Overview
1,5-Diazacyclooctane-1,5-diacetic acid (CAS 21049-12-7), with molecular formula C10H18N2O4 and molecular weight 230.13 g/mol. IUPAC: 2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid.
Chemical Property Profile of 1,5-Diazacyclooctane-1,5-diacetic acid
Property Insights of 1,5-Diazacyclooctane-1,5-diacetic acid
The XLogP value of -0.4466 indicates that 1,5-Diazacyclooctane-1,5-diacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Diazacyclooctane-1,5-diacetic acid. Following Lipinski's Rule of Five, 1,5-Diazacyclooctane-1,5-diacetic acid has 2 hydrogen bond donor(s) and 4 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 1,5-Diazacyclooctane-1,5-diacetic acid?
The CAS number of 1,5-Diazacyclooctane-1,5-diacetic acid is 21049-12-7.
What is the molecular formula of 1,5-Diazacyclooctane-1,5-diacetic acid?
The molecular formula of 1,5-Diazacyclooctane-1,5-diacetic acid is C10H18N2O4.
What is the molecular weight of 1,5-Diazacyclooctane-1,5-diacetic acid?
The molecular weight of 1,5-Diazacyclooctane-1,5-diacetic acid is 230.13 g/mol.
Where can I buy 1,5-Diazacyclooctane-1,5-diacetic acid?
You can request a quote for 1,5-Diazacyclooctane-1,5-diacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Diazacyclooctane-1,5-diacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Diazacyclooctane-1,5-diacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.