4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid
TL;DR: 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid (CAS 107265-48-5) is a chemical compound with molecular formula C18H30N4O2 and molecular weight 334.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid
Also Known As: CTPA, CPTA, Plerixafor Impurity U, CPTA, 4 HCl, 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid
| Molecular Formula | C18H30N4O2 |
|---|---|
| Molecular Weight | 334.24 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.23688 |
| Heavy Atoms | 24 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 107265-48-5 |
|---|---|
| SMILES | C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C(=O)O |
| InChIKey | GMOGICAFJFPMNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid (CAS 107265-48-5), with molecular formula C18H30N4O2 and molecular weight 334.24 g/mol. IUPAC: 4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid.
Chemical Property Profile of 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid
Property Insights of 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid
The XLogP value of -1.8 indicates that 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid. Following Lipinski's Rule of Five, 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid has 4 hydrogen bond donor(s) and 6 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 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid?
The CAS number of 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid is 107265-48-5.
What is the molecular formula of 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid?
The molecular formula of 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid is C18H30N4O2.
What is the molecular weight of 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid?
The molecular weight of 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid is 334.24 g/mol.
Where can I buy 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid?
You can request a quote for 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((1,4,8,11-Tetraazacyclotetradec-1-yl)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.