N,N-Diacetylhomotaurine
TL;DR: N,N-Diacetylhomotaurine (CAS 134152-15-1) is a chemical compound with molecular formula C7H13NO7S and molecular weight 255.04128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[carboxymethyl(3-sulfopropyl)amino]acetic acid
Also Known As: N,N-Diacetylhomotaurine, CA-Aota, Homotaurine N,N-Diacetic Acid, Calcium diacetylhomotaurine, Calcium bis-acetyl homotaurine
Technical Specifications
| Molecular Formula | C7H13NO7S |
| Molecular Weight | 255.04128 g/mol |
| XLogP | -3.6 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 255.04128 Da |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
| SMILES | C(CN(CC(=O)O)CC(=O)O)CS(=O)(=O)O |
| InChIKey | CYENWLQMKHLYKF-UHFFFAOYSA-N |
Chemical Property Profile of N,N-Diacetylhomotaurine
Property Insights of N,N-Diacetylhomotaurine
The XLogP value of -3.6 indicates that N,N-Diacetylhomotaurine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting N,N-Diacetylhomotaurine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-Diacetylhomotaurine 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
What is the CAS number of N,N-Diacetylhomotaurine?
The CAS number of N,N-Diacetylhomotaurine is 134152-15-1.
What is the molecular formula of N,N-Diacetylhomotaurine?
The molecular formula of N,N-Diacetylhomotaurine is C7H13NO7S.
What is the molecular weight of N,N-Diacetylhomotaurine?
The molecular weight of N,N-Diacetylhomotaurine is 255.04128 g/mol.
Where can I buy N,N-Diacetylhomotaurine?
You can request a quote for N,N-Diacetylhomotaurine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-Diacetylhomotaurine?
Yes, CoreyChem provides custom synthesis services for N,N-Diacetylhomotaurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.