RefChem:327661
TL;DR: RefChem:327661 (CAS 13851-61-1) is a chemical compound with molecular formula C21H23ClN2O5 and molecular weight 418.12955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-amino-2-[5-(1,3-dioxoisoindol-2-ium-2-yl)pentoxy]benzoate chloride
Also Known As: M & B 8249, Benzoic acid, 5-amino-2-((5-(1,3-dioxoisoindolin-2-yl)pentyl)oxy)-, methyl ester, hydrochloride, 5-Amino-2-((5-(1,3-dioxoisoindolin-2-yl)pentyl)oxy)benzoic acid methyl ester hydrochloride, methyl 5-amino-2-[5-(1,3-dioxoisoindol-2-ium-2-yl)pentoxy]benzoate;chloride, methyl 5-amino-2-[5-(1,3-dioxoisoindol-2-ium-2-yl)pentoxy]benzoate chloride
Technical Specifications
| Molecular Formula | C21H23ClN2O5 |
| Molecular Weight | 418.12955 g/mol |
| XLogP | -1.51 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 418.12955 Da |
| Heavy Atoms | 29 |
| Complexity | 557.0 |
| SMILES | COC(=O)C1=C(C=CC(=C1)N)OCCCCC[NH+]2C(=O)C3=CC=CC=C3C2=O.[Cl-] |
| InChIKey | CUXXETIQYUUDTP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:327661
Property Insights of RefChem:327661
The XLogP value of -1.51 indicates that RefChem:327661 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327661. Following Lipinski's Rule of Five, RefChem:327661 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:327661?
The CAS number of RefChem:327661 is 13851-61-1.
What is the molecular formula of RefChem:327661?
The molecular formula of RefChem:327661 is C21H23ClN2O5.
What is the molecular weight of RefChem:327661?
The molecular weight of RefChem:327661 is 418.12955 g/mol.
Where can I buy RefChem:327661?
You can request a quote for RefChem:327661 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:327661?
Yes, CoreyChem provides custom synthesis services for RefChem:327661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.