Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)-
TL;DR: Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)- (CAS 112700-08-0) is a chemical compound with molecular formula C16H16N4O5 and molecular weight 344.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-oxo-3-(2H-tetrazol-5-yl)chromen-6-yl]oxyhexanoic acid
Also Known As: Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)-, 6-(2-Oxo-3-(1H-tetrazole-5-yl)-2H-chromene-6-yloxy)hexanoic acid, 6-((2-Oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)hexanoic acid, 6-[2-oxo-3-(2H-tetrazol-5-yl)chromen-6-yl]oxyhexanoic acid, 6-{[2-oxo-3-(2h-tetrazol-5-yl)-2h-chromen-6-yl]oxy}hexanoic acid
| Molecular Formula | C16H16N4O5 |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 344.11206 |
| Heavy Atoms | 25 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 112700-08-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1OCCCCCC(=O)O)C=C(C(=O)O2)C3=NNN=N3 |
| InChIKey | RAUYALIBIJQRKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)- (CAS 112700-08-0), with molecular formula C16H16N4O5 and molecular weight 344.11 g/mol. IUPAC: 6-[2-oxo-3-(2H-tetrazol-5-yl)chromen-6-yl]oxyhexanoic acid.
Chemical Property Profile of Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)-
Property Insights of Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)-. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)-. Following Lipinski's Rule of Five, Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)- has 2 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 Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)-?
The CAS number of Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)- is 112700-08-0.
What is the molecular formula of Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)-?
The molecular formula of Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)- is C16H16N4O5.
What is the molecular weight of Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)-?
The molecular weight of Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)- is 344.11 g/mol.
Where can I buy Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)-?
You can request a quote for Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)-?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 6-((2-oxo-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-6-yl)oxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.